chempirical

5-Acetyl-2,4-dimethylthiazole

C7H9NOSCAS 38205-60-6155.21 g/mol

Open in Covalent MOL file
OSN
Ketone

Properties

Molecular formula
C7H9NOS
Molar mass
155.21 g/mol
Exact mass
155.0405 Da
Boiling point
228–230 °C
logP
1.96Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
38205-60-6
SMILES
CC(=O)c1sc(C)nc1C
InChIKey
BLQOKWQUTLNKON-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NOS/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Ethyl 2,4-dimethyl-5-thiazolecarboxylate7210-77-756 % similar 2,4,5-Trimethylthiazole13623-11-543 % similar 2,4-Dimethylthiazole-5-sulfonyl chloride80466-80-438 % similar 2-Acetyl-3-methylpyrazine23787-80-637 % similar 2-Acetyl-3,5-dimethylpyrazine54300-08-237 % similar 2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid117724-63-737 % similar 2-Acetyl-3-methylthiophene13679-72-636 % similar 2-Acetyl-5-methylthiophene13679-74-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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