AromaDb: A Database of Plant's Aroma Molecules

2,4-Dimethyl-5-acetylthiazole Details

: IUPAC Name
1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
:Chemical Class
:CAS Registry Number
38205-60-6
:Description

:Fragrance Type
nutty

Physical and Chemical properties

PUBCHEM ID520888
Molecular Weight (mg/mol)155.222
Molecular FormulaC7H9NOS
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
IUPAC Name
Canonical SMILESCC(=O)c1sc(C)nc1C
PUBCHEM IUPAC INCHIKEYBLQOKWQUTLNKON-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP980.906
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionMutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.635495
Ocular IrritancyModerate
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 38205-60-6
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 38205-60-6 2,4-Dimethyl-5-acetylthiazole

Compound Image


2D Structure

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