chempirical

4-Methyl-5-thiazolecarboxylic acid

C5H5NO2SCAS 20485-41-0143.16 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
Melting point
280 °C (decomposes)
logP
1.15Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
20485-41-0
SMILES
Cc1ncsc1C(=O)O
InChIKey
ZGWGSEUMABQEMD-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO2S/c1-3-4(5(7)8)9-2-6-3/h2H,1H3,(H,7,8)

Weigh it out

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

Names and synonyms

2 names
  • 5-Thiazolecarboxylic acid, 4-methyl-
  • 4-Methyl-1,3-thiazole-5-carboxylic acid

Work with 4-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

Ethyl 4-methylthiazole-5-carboxylate20582-55-251 % similar 4-Methyl-1,2,3-thiadiazole-5-carboxylic acid18212-21-050 % similar 4,6-Dimethyl-5-pyrimidinecarboxylic acid157335-93-848 % similar 3-Methyl-2-thiophenecarboxylic acid23806-24-846 % similar 2-Methylnicotinic acid3222-56-843 % similar 4,5-Dimethylthiazole3581-91-742 % similar 4-Methyl-5-thiazolecarboxaldehyde82294-70-041 % similar 5-Thiazolecarboxylic acid14527-41-440 % 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 2-Methyl-5-thiazolecarboxylic acid40004-69-1

Elsewhere

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