4-Methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carboxylic acid

C₁₀H₈N₂O₂SCAS 39091-01-5220.25 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

6 names

4-Methyl-2-(pyridin-3-yl)thiazole-5-carboxylic acid
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)-1,3-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-phenyl-thiazole-5-carboxylic acid33763-20-173 % similar 4-Methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolecarboxylic acid144059-86-957 % similar 4-Pyridin-3-yl-benzoic acid4385-75-549 % similar Dimethyl-1,3-thiazole-5-carboxylic acid53137-27-249 % similar 3-(Pyridin-3-yl)benzoic acid4385-77-747 % similar 2-Bromo-4-methyl-1,3-thiazole-5-carboxylic acid40003-41-647 % similar Niacin59-67-644 % similar Febuxostat144060-53-744 % similar

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

Elsewhere

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