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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 22:25:02 UTC
Update Date2022-03-07 02:55:13 UTC
HMDB IDHMDB0037176
Secondary Accession Numbers
  • HMDB37176
Metabolite Identification
Common Name2-Ethyl-2,5-dihydro-4,5-dimethylthiazole
Description2-Ethyl-2,5-dihydro-4,5-dimethylthiazole belongs to the class of organic compounds known as thiazolines. These are heterocyclic compounds containing a five-member unsaturated aliphatic ring with one nitrogen atom, one sulfur atom, three carbon atoms. 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole is a chocolate, coffee, and meat tasting compound. Based on a literature review very few articles have been published on 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole.
Structure
Thumb
Synonyms
ValueSource
2,5-dihydro-4,5-Dimethyl-2-ethyl-thiazoleHMDB
2-Ethyl-2,5-dihydro-4,5-dimethyl-thiazoleHMDB
2-Ethyl-4,5-dimethyl thiazolineHMDB
2-Ethyl-4,5-dimethyl-3-thiazolineHMDB
4,5-Dimethyl-2-ethyl-3-thiazolineHMDB
FEMA 3620HMDB
Chemical FormulaC7H13NS
Average Molecular Weight143.25
Monoisotopic Molecular Weight143.076870111
IUPAC Name2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
Traditional Name2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
CAS Registry Number76788-46-0
SMILES
CCC1SC(C)C(C)=N1
InChI Identifier
InChI=1S/C7H13NS/c1-4-7-8-5(2)6(3)9-7/h6-7H,4H2,1-3H3
InChI KeyCSACPVARWHDAET-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as thiazolines. These are heterocyclic compounds containing a five-member unsaturated aliphatic ring with one nitrogen atom, one sulfur atom, three carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassAzolines
Sub ClassThiazolines
Direct ParentThiazolines
Alternative Parents
Substituents
  • Meta-thiazoline
  • Ketimine
  • Azacycle
  • Dialkylthioether
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Thioether
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Imine
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane
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 IDFDB016172
KNApSAcK IDNot Available
Chemspider ID4515096
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5362584
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
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.. .