chempirical

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
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

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.

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

1-(2-Thiazolyl)-1-propanone43039-98-153 % similar Thiazole-2-carboxamidine hydrochloride247037-82-740 % similar 2-Acetylpyridine1122-62-939 % similar Acetylpyrazine22047-25-239 % similar 2-Acetyl-3-methylpyrazine23787-80-639 % similar 2-Methylthiazole3581-87-139 % similar 4-Acetylpyridine1122-54-939 % similar 2-Acetyl-3-methylthiophene13679-72-638 % 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 Thiophene-2-aldoxime29683-84-9 2-Thiophenecarboxamide5813-89-8 4-Methyl-5-thiazolecarboxaldehyde82294-70-0

Elsewhere

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