AromaDb: A Database of Plant's Aroma Molecules

2,4-Dimethyl-5-vinylthiazole Details

: IUPAC Name
5-ethenyl-2,4-dimethyl-1,3-thiazole
:Chemical Class
:CAS Registry Number
65505-18-2
:Description

:Fragrance Type
NA

Physical and Chemical properties

PUBCHEM ID5362563
Molecular Weight (mg/mol)139.222
Molecular FormulaC7H9NS
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
IUPAC Name
Canonical SMILESC=Cc1sc(C)nc1C
PUBCHEM IUPAC INCHIKEYMLBCDQHOBLVBQD-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA34.14
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP981.717
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.981782
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 65505-18-2
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 65505-18-2 2,4-Dimethyl-5-vinylthiazole

Compound Image


2D Structure

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