| Common Name |
Thiazole
| Description |
Thiazole is a flavouring ingredient The thiazole moiety is a crucial part of vitamin B1 (thiamine) and epothilone. Other important thiazoles are benzothiazoles, for example, the firefly chemical luciferin. Thiazole, or 1,3-thiazole, is a clear to pale yellow flammable liquid with a pyridine-like odor and the molecliar formlia C3H3NS. It is a 5-membered ring, in which two of the vertices of the ring are nitrogen and slifur, and the other three are carbons. Thiazoles are a class of organic compounds related to azoles with a common thiazole functional group. Thiazoles are aromatic.Thiazole has been shown to exhibit antibiotic function (PMID 19440351 ).Thiazole belongs to the family of Thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one slifur atom, one nitrogen, and three carbon atoms.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29713 (Thiazole)
| Synonyms |
| Value |
Source |
tzChEBI
1,3-ThiazoleHMDB
5H-1,3-ThiazoleHMDB
FEMA 3615HMDB
LOMHMDB
Photinus luciferinHMDB
| Chemical Formlia |
C3H3NS
| Average Molecliar Weight |
85.128
| Monoisotopic Molecliar Weight |
84.998619791
| IUPAC Name |
1,3-thiazole
| Traditional Name |
thiazole
| CAS Registry Number |
288-47-1
| SMILES |
S1C=CN=C1
| InChI Identifier |
InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H
| InChI Key |
FZWLAAWBMGSTSO-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one slifur atom, one nitrogen, and three carbon atoms.
| Kingdom |
Organic compounds
| Super Class |
Organoheterocyclic compounds
| Class |
Azoles
| Sub Class |
Thiazoles
| Direct Parent |
Thiazoles
| Alternative Parents |
Heteroaromatic compounds
Azacyclic compounds
Organonitrogen compounds
Hydrocarbon derivatives
| Substituents |
Heteroaromatic compound
Thiazole
Azacycle
Hydrocarbon derivative
Organonitrogen compound
Aromatic heteromonocyclic compound
| Molecliar Framework |
Aromatic heteromonocyclic compounds
| External Descriptors |
1,3-thiazole (CHEBI:43732 )
mancude organic heteromonocyclic parent (CHEBI:43732 )
monocyclic heteroarene (CHEBI:43732 )
| Ontology |
| Status |
Detected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Flavoring Agent
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Liquid
| Experimental Properties |
| Property |
Value |
Reference |
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP0.44Not Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility5.01 mg/mLALOGPS
logP0.89ALOGPS
logP0.63ChemAxon
logS-1.2ALOGPS
pKa (Strongest Basic)2.89ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area12.89 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity21.27 m3·mol-1ChemAxon
Polarizability7.93 Å3ChemAxon
Number of Rings1ChemAxon
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-QFT , positivesplash10-000i-9000000000-2af2c17c045ee1aba995View 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 |
Cytoplasm
Extracellliar
| Biofluid Locations |
Saliva
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
SalivaDetected but not Quantified Adlit (>18 years old)Not SpecifiedNormal
24421258
details
|
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000907
| KNApSAcK ID |
Not Available
| Chemspider ID |
8899
| KEGG Compound ID |
C02740
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Thiazole
| NuGOwiki Link |
HMDB29713
| Metagene Link |
HMDB29713
| METLIN ID |
Not Available
| PubChem Compound |
9256
| PDB ID |
LOM
| ChEBI ID |
43732
Product: TRAP-6
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Bhat UG, Halasi M, Gartel AL: Thiazole antibiotics target FoxM1 and induce apoptosis in human cancer cells. PLoS One. 2009;4(5):e5592. doi: 10.1371/journal.pone.0005592. Epub 2009 May 18. [PubMed:19440351 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 26597723