5-Acetyl-2,4-dimethylthiazole
Properties
- Molecular formula
- C7H9NOS
- Molar mass
- 155.21 g/mol
- Exact mass
- 155.0405 Da
- Density
- 1.147–1.152 g/mL
- Boiling point
- 228–230 °C
- logP
- 1.96Crippen estimate
- Polar surface area
- 30.0 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed97.1% of notifiers
Aggregated from 1,593 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
38205-60-6SMILES
CC(=O)c1sc(C)nc1CInChIKey
BLQOKWQUTLNKON-UHFFFAOYSA-NInChI
InChI=1S/C7H9NOS/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Ethanone, 1-(2,4-dimethyl-5-thiazolyl)-
- Ketone, 2,4-dimethyl-5-thiazolyl methyl
- 1-(2,4-Dimethyl-5-thiazolyl)ethanone
- 2,4-Dimethyl-5-acetylthiazole
- 1-(2,4-Dimethylthiazol-5-yl)ethanone
- 1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethanone
- 1-(2,4-Dimethylthiazol-5-yl)ethan-1-one
- 1-(Dimethyl-1,3-thiazol-5-yl)ethan-1-one
Work with 5-Acetyl-2,4-dimethylthiazole
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
5-Acetyl-2-amino-4-methylthiazole30748-47-163 % similar
Dimethyl-1,3-thiazole-5-carboxylic acid53137-27-259 % similar
Ethyl 2,4-dimethylthiazole-5-carboxylate7210-77-756 % similar
2,4,5-Trimethylthiazole13623-11-543 % similar
5-Bromo-2,4-dimethyl-1,3-thiazole28599-52-241 % similar
Dimethyl-1,3-thiazole-5-sulfonyl chloride80466-80-438 % similar
Methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate3829-80-938 % similar
2-Acetyl-3-methylpyrazine23787-80-637 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.