chempirical

2-Methyl-1,3-thiazole-4-carboxylic acid

C5H5NO2SCAS 35272-15-2143.16 g/mol

Open in Covalent MOL file
NSOHO
Carboxylic acid

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
35272-15-2
SMILES
CC1=NC(=CS1)C(=O)O
InChIKey
ZHDRDZMTEOIWSX-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO2S/c1-3-6-4(2-9-3)5(7)8/h2H,1H3,(H,7,8)

Weigh it out

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

Work with 2-Methyl-1,3-thiazole-4-carboxylic 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-Aminothiazole-4-carboxylic acid40283-41-858 % similar 2-Chloro-1,3-thiazole-4-carboxylic acid5198-87-858 % similar 2-Bromo-4-thiazolecarboxylic acid5198-88-958 % similar Ethyl 2-methylthiazole-4-carboxylate6436-59-551 % similar 2-Phenyl-4-carboxythiazole7113-10-251 % similar 2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid21278-86-450 % similar Dimethyl-1,3-thiazole-5-carboxylic acid53137-27-244 % similar 6-Methylpyrazine-2-carboxylic acid5521-61-944 % 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 2-Methyl-5-thiazolecarboxylic acid40004-69-1 Methyl thiazole-2-carboxylate55842-56-3 5-Methylthiazole-2-carboxylic acid61291-21-2

Elsewhere

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