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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 17:53:05 UTC
Update Date2023-02-21 17:22:56 UTC
HMDB IDHMDB0032985
Secondary Accession Numbers
  • HMDB32985
Metabolite Identification
Common Name5-(2-Hydroxyethyl)-4-methylthiazole
Description5-(2-Hydroxyethyl)-4-methylthiazole, also known as 4-methyl-5-(2'-hydroxyethyl)-thiazole or 4-methyl-5-thiazolethanol, belongs to the class of organic compounds known as 4,5-disubstituted thiazoles. 4,5-disubstituted thiazoles are compounds containing a thiazole ring substituted at positions 4 and 5 only. 5-(2-Hydroxyethyl)-4-methylthiazole exists in all living species, ranging from bacteria to humans. 5-(2-Hydroxyethyl)-4-methylthiazole is a sulfur tasting compound. 5-(2-Hydroxyethyl)-4-methylthiazole has been detected, but not quantified, in several different foods, such as kohlrabis, red bell peppers, citrus, avocado, and black-eyed pea. This could make 5-(2-hydroxyethyl)-4-methylthiazole a potential biomarker for the consumption of these foods. A 1,3-thiazole that is thiazole substituted by a methyl group at position 4 and a 2-hydroxyethyl group at position 5.
Structure
Thumb
Synonyms
Chemical FormulaC6H9NOS
Average Molecular Weight143.207
Monoisotopic Molecular Weight143.040484605
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)ethan-1-ol
Traditional Name4-methyl-5-thiazoleethanol
CAS Registry Number137-00-8
SMILES
CC1=C(CCO)SC=N1
InChI Identifier
InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3
InChI KeyBKAWJIRCKVUVED-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 4,5-disubstituted thiazoles. 4,5-Disubstituted thiazoles are compounds containing a thiazole ring substituted at positions 4 and 5 only.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassAzoles
Sub ClassThiazoles
Direct Parent4,5-disubstituted thiazoles
Alternative Parents
Substituents
  • 4,5-disubstituted 1,3-thiazole
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Alcohol
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effect
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point< 25 °CNot Available
Boiling Point135.00 °C. @ 7.00 mm HgThe Good Scents Company Information System
Water Solubility9081 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP0.275 (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 Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
Associated Disorders and Diseases
Disease References
Colorectal cancer
  1. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
Associated OMIM IDs
DrugBank IDDB02969
Phenol Explorer Compound IDNot Available
FooDB IDFDB030512
KNApSAcK IDC00007610
Chemspider ID1104
KEGG Compound IDC04294
BioCyc IDTHZ
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound1136
PDB IDTZE
ChEBI ID17957
Food Biomarker OntologyNot Available
VMH ID4MHETZ
MarkerDB IDNot Available
Good Scents IDrw1023221
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .