chempirical

5-Methylthiazole-2-carboxylic acid

C5H5NO2SCAS 61291-21-2143.16 g/mol

Open in Covalent MOL file
NSOOH
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
61291-21-2
SMILES
CC1=CN=C(S1)C(=O)O
InChIKey
UYDGNRLMYZMDOG-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO2S/c1-3-2-6-4(9-3)5(7)8/h2H,1H3,(H,7,8)

Weigh it out

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Names and synonyms

1 names
  • 5-Methyl-1,3-thiazole-2-carboxylic acid

Work with 5-Methylthiazole-2-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

5-Methyl-2-thiophenecarboxylic acid1918-79-247 % similar Thiazole-2-carboxylic acid14190-59-144 % similar 2-Methylpyrimidine-5-carboxylic acid5194-32-144 % similar 2,5-Pyrazinedicarboxylic acid122-05-442 % similar 2,5-Dimethylthiazole4175-66-042 % similar 5-Methyl-2-pyrazinecarboxylic acid5521-55-142 % similar 6-Methylpyridine-3-carboxylic acid3222-47-741 % similar 2-Bromo-5-thiazolecarboxylic acid54045-76-041 % 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-1,3-thiazole-4-carboxylic acid35272-15-2 2-Methyl-5-thiazolecarboxylic acid40004-69-1 Methyl thiazole-2-carboxylate55842-56-3

Elsewhere

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