2-Acetylthiazole

C5H5NOSCAS 24295-03-2127.16 g/mol

Open in Covalent MOL file
ONS
Ketone

Properties

Molecular formula
C5H5NOS
Molar mass
127.16 g/mol
Exact mass
127.0092 Da
Density
1.225–1.229 g/mL
Melting point
64.5–65.5 °C
Boiling point
95–105 °C (at 15 Torr)
logP
1.35Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,570 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
24295-03-2
SMILES
CC(=O)c1nccs1
InChIKey
MOMFXATYAINJML-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NOS/c1-4(7)5-6-2-3-8-5/h2-3H,1H3

Weigh it out

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

Names and synonyms

7 names
  • Ethanone, 1-(2-thiazolyl)-
  • Ketone, methyl 2-thiazolyl
  • 1-(2-Thiazolyl)ethanone
  • 2-Acetyl-1,3-thiazole
  • 1-(Thiazol-2-yl)ethanone
  • 1-(1,3-Thiazol-2-yl)ethanone
  • 1-(1,3-Thiazol-2-yl)ethan-1-one

Work with 2-Acetylthiazole

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thiazole-2-carboxylic acid14190-59-153 % similar 2-Propionylthiazole43039-98-153 % similar Methyl thiazole-2-carboxylate55842-56-353 % similar 1-(Pyrimidin-2-yl)ethan-1-one53342-27-143 % similar 2-Acetylthiophene88-15-341 % similar 1,3-Thiazole-2-carboximidamide hydrochloride247037-82-740 % similar 2-Acetylpyridine1122-62-939 % similar Acetylpyrazine22047-25-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methylthiazole-5-carbaldehyde1003-60-7 2-Mercaptopyridine N-oxide1121-31-9 4-Methyl-1,3-thiazole-2-carbaldehyde13750-68-0 4-Cyano-3-tetrahydrothiophenone16563-14-7 2-Methyl-1,3-thiazole-4-carbaldehyde20949-84-2 Thiophene-2-aldoxime29683-84-9 2-Thiophenecarboxamide5813-89-8 4-Methylthiazole-5-carboxaldehyde82294-70-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook