chempirical

4-Methyl-2-thiazolecarboxylic acid

C5H5NO2SCAS 14542-16-6143.16 g/mol

Open in Covalent MOL file
SOOHN
Carboxylic acid

Properties

Molecular formula
C5H5NO2S
Molar mass
143.16 g/mol
Exact mass
143.0041 Da
Melting point
99 °C
Boiling point
122 °C (at 5 Torr)
logP
1.15Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
14542-16-6
SMILES
Cc1csc(C(=O)O)n1
InChIKey
GNGDWDFLILPTKL-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO2S/c1-3-2-9-4(6-3)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

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

Work with 4-Methyl-2-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

4-(1-Methylethyl)-2-thiazolecarboxylic acid300831-06-559 % similar 6-Methylpicolinic acid934-60-144 % similar 2-Hydroxy-6-methylnicotinic acid38116-61-942 % similar 3-Methyl-5-isoxazolecarboxylic acid4857-42-542 % similar 5-Methyl-2-pyrazinecarboxylic acid5521-55-142 % similar 2-Chloro-6-methylnicotinic acid30529-70-541 % similar 4-Methyl-2(3H)-thiazolethione4498-39-941 % similar 3-Methyl-2-thiophenecarboxylic acid23806-24-838 % 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-5-thiazolecarboxylic acid20485-41-0 2-Methyl-5-thiazolecarboxylic acid40004-69-1

Elsewhere

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