chempirical

4-Methyl-2-(pyridin-3-yl)thiazole-5-carboxylic acid

C10H8N2O2SCAS 39091-01-5220.25 g/mol

Open in Covalent MOL file
NNSOOH
Carboxylic acid

Properties

Molecular formula
C10H8N2O2S
Molar mass
220.25 g/mol
Exact mass
220.0306 Da
logP
2.21Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
39091-01-5
SMILES
Cc1nc(-c2cccnc2)sc1C(=O)O
InChIKey
CJLQNROYBZEUGH-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N2O2S/c1-6-8(10(13)14)15-9(12-6)7-3-2-4-11-5-7/h2-5H,1H3,(H,13,14)

Weigh it out

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

Names and synonyms

5 names
  • 5-Thiazolecarboxylic acid, 4-methyl-2-(3-pyridinyl)-
  • 4-Methyl-2-(3-pyridinyl)-5-thiazolecarboxylic acid
  • 4-Methyl-2-(3-pyridyl)thiazole-5-carboxylic acid
  • 2-(3-Pyridyl)-4-methylthiazole-5-carboxylic acid
  • 2-(3-Pyridinyl)-4-methylthiazole-5-carboxylic acid

Work with 4-Methyl-2-(pyridin-3-yl)thiazole-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-2-[4-(trifluoromethyl)phenyl]-5-thiazolecarboxylic acid144059-86-957 % similar Febuxostat144060-53-744 % similar 2-Methylnicotinic acid3222-56-841 % similar 4-Methyl-5-thiazolecarboxylic acid20485-41-039 % similar Ethyl 2-(4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate161797-99-539 % similar 4-Methylnicotinic acid3222-50-238 % similar 4-Methyl-1,2,3-thiadiazole-5-carboxylic acid18212-21-037 % similar Cinchomeronic acid490-11-936 % similar

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

Elsewhere

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