chempirical

2-Methyl-5-thiazolecarboxylic acid

C5H5NO2SCAS 40004-69-1143.16 g/mol

Open in Covalent MOL file
NOOHS
Carboxylic acid

Properties

Molecular formula
C5H5NO2S
Molar mass
143.16 g/mol
Exact mass
143.0041 Da
Melting point
209 °C
logP
1.15Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
40004-69-1
SMILES
Cc1ncc(C(=O)O)s1
InChIKey
QCXCIYPOMMIBHO-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO2S/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8)

Weigh it out

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

Names and synonyms

4 names
  • 5-Thiazolecarboxylic acid, 2-methyl-
  • RU 21933
  • 2-Methyl-1,3-thiazole-5-carboxylic acid
  • NSC 170606

Work with 2-Methyl-5-thiazolecarboxylic acid

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

2-(Trifluoromethyl)thiazole-5-carboxylic acid1286734-84-653 % similar 5-Methyl-2-thiophenecarboxylic acid1918-79-247 % similar 2,5-Thiophenedicarboxylic acid4282-31-947 % similar 4,5-Dimethyl-2-thiophenecarboxylic acid40808-24-044 % similar 5-Thiazolecarboxylic acid14527-41-444 % similar 2,5-Pyrazinedicarboxylic acid122-05-442 % similar 2,5-Dimethylthiazole4175-66-042 % similar 5-Acetyl-2-thiophenecarboxylic acid4066-41-542 % similar

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

Same formula

Methyl 1,3-thiazole-5-carboxylate14527-44-7 4-Methyl-2-thiazolecarboxylic acid14542-16-6 4-Methyl-5-thiazolecarboxylic acid20485-41-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook