chempirical

Thiazole-2-carboxylic acid

C4H3NO2SCAS 14190-59-1129.13 g/mol

Open in Covalent MOL file
SNOOH
Carboxylic acid

Properties

Molecular formula
C4H3NO2S
Molar mass
129.13 g/mol
Exact mass
128.9884 Da
logP
0.84Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
14190-59-1
SMILES
C1=CSC(=N1)C(=O)O
InChIKey
IJVLVRYLIMQVDD-UHFFFAOYSA-N
InChI
InChI=1S/C4H3NO2S/c6-4(7)3-5-1-2-8-3/h1-2H,(H,6,7)

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

Names and synonyms

1 names
  • 1,3-Thiazole-2-carboxylic acid

Work with Thiazole-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

2-Acetylthiazole24295-03-253 % similar 1-(2-Thiazolyl)-1-propanone43039-98-148 % similar 4-Methyl-2-thiazolecarboxylic acid14542-16-644 % similar 4-(1-Methylethyl)-2-thiazolecarboxylic acid300831-06-542 % similar 2,5-Pyrazinedicarboxylic acid122-05-441 % similar Thiophene-2-carboxylic acid527-72-041 % similar 4-Methyl-5-thiazolecarboxylic acid20485-41-040 % similar Thiazole-2-carboxamidine hydrochloride247037-82-740 % similar

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

Same formula

5-Thiazolecarboxylic acid14527-41-4 2-Nitrothiophene609-40-5

Elsewhere

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