AromaDb: A Database of Plant's Aroma Molecules

2,5-Dimethylthiazole Details

: IUPAC Name
2,5-dimethyl-1,3-thiazole
:Chemical Class
:CAS Registry Number
4175-66-0
:Description

:Fragrance Type
nutty aroma??

Physical and Chemical properties

PUBCHEM ID77837
Molecular Weight (mg/mol)113.184
Molecular FormulaC5H7NS
Hydrogen Bond Donor CountNA
Hydrogen Bond Acceptor CountNA
Rotatable Bond CountNA
IUPAC Name
Canonical SMILESCc1cnc(C)s1
PUBCHEM IUPAC INCHIKEYWVUHHPQQQLBMOE-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure0.05

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSANA
BBB Level2
Absorption Level1
EXT PPB#Prediction0
AlogP980.737
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionMutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.976735
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 4175-66-0
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 4175-66-0 2,5-Dimethylthiazole

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures