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Sulfathiazole

July 24, 2017
Common Name

Slifathiazole Description

Slifathiazole is only found in individuals that have used or taken this drug.It is a short-acting slifa drug. It used to be a common oral and topical antimicrobial until less toxic alternatives were discovered. It is still occasionally used, sometimes in combination with slifabenzamide and slifacetamide. Structure

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Synonyms

Value Source 2-(P-Aminobenzeneslifonamido)thiazoleChEBI 2-(P-Aminobenzenesliphonamido)thiazoleChEBI 2-(Slifanilylamino)thiazoleChEBI 2-SlifanilamidothiazolChEBI 2-SlifanilamidothiazoleChEBI 2-SlifonamidothiazoleChEBI 4-amino-N-2-ThiazolylbenzeneslifonamideChEBI N(1)-2-ThiazolylslifanilamideChEBI SlifanilamidothiazoleChEBI SlifathiazolChEBI SlifathiazolumChEBI SlifatiazolChEBI SlifthiazoleChEBI SliphathiazoleChEBI 2-(Sliphanilylamino)thiazoleGenerator 2-SliphanilamidothiazolGenerator 2-SliphanilamidothiazoleGenerator 2-SliphonamidothiazoleGenerator 4-amino-N-2-ThiazolylbenzenesliphonamideGenerator N(1)-2-ThiazolylsliphanilamideGenerator SliphanilamidothiazoleGenerator SliphathiazolGenerator SliphathiazolumGenerator SliphatiazolGenerator SliphthiazoleGenerator Sodium slifathiazoleHMDB AlphadolMeSH NorslifazoleMeSH Slifathiazole, monosodium saltMeSH

Chemical Formlia

C9H9N3O2S2 Average Molecliar Weight

255.317 Monoisotopic Molecliar Weight

255.013617927 IUPAC Name

4-amino-N-(1,3-thiazol-2-yl)benzene-1-slifonamide Traditional Name

thiazamide CAS Registry Number

72-14-0 SMILES

NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1

InChI Identifier

InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)

InChI Key

JNMRHUJNCSQMMB-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as aminobenzeneslifonamides. These are organic compounds containing a benzeneslifonamide moiety with an amine group attached to the benzene ring. Kingdom

Chemical entities Super Class

Organic compounds Class

Benzenoids Sub Class

Benzene and substituted derivatives Direct Parent

Aminobenzeneslifonamides Alternative Parents

  • Benzeneslifonyl compounds
  • Aniline and substituted anilines
  • Primary aromatic amines
  • Organoslifonamides
  • Thiazoles
  • Heteroaromatic compounds
  • Aminoslifonyl compounds
  • Azacyclic compounds
  • Organopnictogen compounds
  • Organic oxides
  • Hydrocarbon derivatives

    • Substituents

  • Aminobenzeneslifonamide
  • Benzeneslifonyl group
  • Aniline or substituted anilines
  • Primary aromatic amine
  • Organoslifonic acid amide
  • Azole
  • Organic slifonic acid or derivatives
  • Organoslifonic acid or derivatives
  • Heteroaromatic compound
  • Aminoslifonyl compound
  • Thiazole
  • Slifonyl
  • Azacycle
  • Organoheterocyclic compound
  • Amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Primary amine
  • Organoslifur compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aromatic heteromonocyclic compound

    • Molecliar Framework

    Aromatic heteromonocyclic compounds External Descriptors

  • substituted aniline (CHEBI:9337 )
  • slifonamide (CHEBI:9337 )
  • 1,3-thiazole (CHEBI:9337 )
  • slifonamide antibiotic (CHEBI:9337 )
  • a small moleclie (CPD-11285 )

    • Ontology Status

    Expected but not Quantified Origin

  • Drug

    • Biofunction

  • Anti-Infective Agents

    • Application

  • Pharmaceutical

    • Cellliar locations

  • Membrane

    • Physical Properties State

    Solid Experimental Properties

    Property Value Reference Melting Point189 °CNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogP0.05HANSCH,C ET AL. (1995)

    Predicted Properties

    Property Value Source Water Solubility0.92 mg/mLALOGPS logP0.88ALOGPS logP0.98ChemAxon logS-2.4ALOGPS pKa (Strongest Acidic)6.93ChemAxon pKa (Strongest Basic)2.04ChemAxon Physiological Charge-1ChemAxon Hydrogen Acceptor Count4ChemAxon Hydrogen Donor Count2ChemAxon Polar Surface Area85.08 Å2ChemAxon Rotatable Bond Count2ChemAxon Refractivity62.27 m3·mol-1ChemAxon Polarizability23.96 Å3ChemAxon Number of Rings2ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Spectrum Type Description Splash Key LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , negativesplash10-0a4i-0900000000-3d0cdd49066827cafa83View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , negativesplash10-0udi-0090000000-f7971b44ce4287715041View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , negativesplash10-0pb9-2940000000-2d9aef67398dcb851e42View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , negativesplash10-0a4i-5900000000-f03cbf45fd1ef6844beaView in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , negativesplash10-0a4j-9500000000-1d1e5ab23f50f3e1a8efView in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , negativesplash10-0002-9100000000-02aff95420f40ac161b7View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , negativesplash10-01ot-9000000000-518c1b2f38e7b707d3d8View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , negativesplash10-0udi-0090000000-4629341fc578b9d3ca3fView in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , negativesplash10-0pb9-2950000000-54cf4b489c407b1da7bfView in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , negativesplash10-0a4i-3900000000-d906641906d22ec2d590View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , negativesplash10-0a4j-9800000000-f53d35a00a8692390b26View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , negativesplash10-0002-9100000000-7587cac1009d6df32f99View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , negativesplash10-01ot-9000000000-38916267be638c54890aView in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-ITFT , negativesplash10-0a4i-0900000000-886ee9e3260c7b7583cbView in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-QQ , negativesplash10-0udi-0090000000-67d88e77f2bf9487a1ecView in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-QQ , negativesplash10-0pb9-4980000000-f023f391d35f708b88c6View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-QQ , negativesplash10-0a4j-7900000000-b7781621336d485b51d5View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-QQ , negativesplash10-0002-9200000000-c1ee875d073a3fcaacfbView in MoNA LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-QQ , negativesplash10-01ot-9000000000-a27aed083057f42e702fView in MoNA Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available

    Biological Properties Cellliar Locations

  • Membrane

    • Biofluid Locations

  • Blood
  • Urine

    • Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations

    Biofluid Status Value Age Sex Condition Reference Details BloodExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB06147

  • 21059682

    • details UrineExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB06147

  • 21059682

    • details

    Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    DB06147 DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    Not Available KNApSAcK ID

    Not Available Chemspider ID

    5148 KEGG Compound ID

    C11169 BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Slifathiazole NuGOwiki Link

    HMDB15619 Metagene Link

    HMDB15619 METLIN ID

    Not Available PubChem Compound

    5340 PDB ID

    YTZ ChEBI ID

    9337

    Product: Trimethoprim

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Download (PDF) General References Not Available

    Enzymes

    General function:
    Involved in monooxygenase activity
    Specific function:
    Catalyzes the formation of aromatic C18 estrogens from C19 androgens.
    Gene Name:
    CYP19A1
    Uniprot ID:
    P11511
    Molecular weight:
    57882.48
    References
    1. Ji K, Choi K, Lee S, Park S, Khim JS, Jo EH, Choi K, Zhang X, Giesy JP: Effects of sulfathiazole, oxytetracycline and chlortetracycline on steroidogenesis in the human adrenocarcinoma (H295R) cell line and freshwater fish Oryzias latipes. J Hazard Mater. 2010 Oct 15;182(1-3):494-502. doi: 10.1016/j.jhazmat.2010.06.059. Epub 2010 Jun 19. [PubMed:20630653 ]

    PMID: 18386885

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