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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:54:04 UTC
Update Date2023-02-21 17:23:09 UTC
HMDB IDHMDB0033155
Secondary Accession Numbers
  • HMDB33155
Metabolite Identification
Common NameTrimethylthiazole
DescriptionTrimethylthiazole, also known as fema 3325, belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. 2,4,5-trisubstituted thiazoles are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only. Trimethylthiazole is a chocolate, cocoa, and coffee tasting compound. Trimethylthiazole is found, on average, in the highest concentration within kohlrabis. Trimethylthiazole has also been detected, but not quantified, in several different foods, such as coffee and coffee products, mung beans, potato, soy beans, and tea. This could make trimethylthiazole a potential biomarker for the consumption of these foods.
Structure
Thumb
Synonyms
ValueSource
2,4,5-Trimethyl-1,3-thiazoleHMDB
2,4,5-Trimethyl-thiazoleHMDB
2,4,5-TrimethylthiazoleHMDB
FEMA 3325HMDB
Thiazole, 2,4,5-trimethyl- (8ci)(9ci)HMDB
Trimethyl-thiazoleHMDB
TrimethylthiazoleChEBI
Chemical FormulaC6H9NS
Average Molecular Weight127.207
Monoisotopic Molecular Weight127.045569983
IUPAC Nametrimethyl-1,3-thiazole
Traditional Nametrimethyl-1,3-thiazole
CAS Registry Number13623-11-5
SMILES
CC1=NC(C)=C(C)S1
InChI Identifier
InChI=1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3
InChI KeyBAMPVSWRQZNDQC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. 2,4,5-Trisubstituted thiazoles are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassAzoles
Sub ClassThiazoles
Direct Parent2,4,5-trisubstituted thiazoles
Alternative Parents
Substituents
  • 2,4,5-trisubstituted 1,3-thiazole
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point166.00 to 167.00 °C. @ 717.50 mm HgThe Good Scents Company Information System
Water Solubility0The Good Scents Company Information System
LogP0.852 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB011160
KNApSAcK IDNot Available
Chemspider ID55558
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound61653
PDB IDNot Available
ChEBI ID78738
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1008831
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Yabuki M, Scott DJ, Briand L, Taylor AJ: Dynamics of odorant binding to thin aqueous films of rat-OBP3. Chem Senses. 2011 Sep;36(7):659-71. doi: 10.1093/chemse/bjr037. Epub 2011 May 2. [PubMed:21536621 ]
  2. Cho MK, Kim SG: Induction of class alpha glutathione S-transferases by 4-methylthiazole in the rat liver: role of oxidative stress. Toxicol Lett. 2000 May 19;115(2):107-15. [PubMed:10802386 ]
  3. Cho MK, Kim SG: Enhanced expression of rat hepatic microsomal epoxide hydrolase by methylthiazole in conjunction with liver injury. Toxicology. 2000 May 5;146(2-3):111-22. [PubMed:10814844 ]
  4. Xi J, Huang TC, Ho CT: Characterization of volatile compounds from the reaction of 3-hydroxy-2-butanone and ammonium sulfide model system. J Agric Food Chem. 1999 Jan;47(1):245-8. [PubMed:10563879 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .