chempirical

4-Methyl-1,2,3-thiadiazole-5-carboxylic acid

C4H4N2O2SCAS 18212-21-0144.15 g/mol

Open in Covalent MOL file
NNSOHO
Carboxylic acid

Properties

Molecular formula
C4H4N2O2S
Molar mass
144.15 g/mol
Exact mass
143.9993 Da
Melting point
174–178 °C
logP
0.54Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
18212-21-0
SMILES
Cc1nnsc1C(=O)O
InChIKey
NHHQOYLPBUYHQU-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2O2S/c1-2-3(4(7)8)9-6-5-2/h1H3,(H,7,8)

Weigh it out

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

Names and synonyms

3 names
  • 1,2,3-Thiadiazole-5-carboxylic acid, 4-methyl-
  • SV 03
  • NK-F 001

Work with 4-Methyl-1,2,3-thiadiazole-5-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

4-Methyl-5-thiazolecarboxylic acid20485-41-050 % similar 4,6-Dimethyl-5-pyrimidinecarboxylic acid157335-93-841 % similar 3-Methyl-2-thiophenecarboxylic acid23806-24-839 % similar 3,5-Dimethyl-1H-pyrazole-4-carboxylic acid113808-86-938 % similar 3,4-Dichloro-5-isothiazolecarboxylic acid18480-53-038 % similar 3,5-Dimethyl-4-isoxazolecarboxylic acid2510-36-338 % similar 4-Methyl-2-(pyridin-3-yl)thiazole-5-carboxylic acid39091-01-537 % similar 2-Methylnicotinic acid3222-56-837 % similar

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

Same formula

Thiobarbituric acid504-17-6

Elsewhere

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