CAS 34418-48-9|2-(2-Pyridyl)-4-methylthiazole-5-carboxylic acid|4-methyl-2-(pyridin-2-yl)-1,3-thiazole-5-carboxylic acid|4-methyl-2-(pyridin-2-yl)-1,3-thiazole-5-carboxylic acid|2-(2-Pyridyl)-4-meth...

General Information

Structure

Molecular Formula

C₁₀H₈N₂O₂S

Molecular Mass

220.24772

Exact Mass

220.03064851

Charge

InChI

InChI=1S/C10H8N2O2S/c1-6-8(10(13)14)15-9(12-6)7-4-2-3-5-11-7/h2-5H,1H3,(H,13,14)

InChIKey

QFDHWPOPCNNAOI-UHFFFAOYSA-N

Canonic Smiles

OC(=O)c1sc(nc1C)c1ccccn1

Isomeric Smiles

s1c(nc(c1C(=O)O)C)c1ccccn1

Calculated Properties

JChem

Acid pKa

3.0504622

H Acceptors

H Donor

LogD (pH = 5.5)

-0.67060876

LogD (pH = 7.4)

-1.7219949

Log P

1.7463793

Molar Refractivity

65.4709

Polarizability

21.641775

Polar Surface Area

63.08

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

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

IUPAC name

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

Synonyms

2-(2-Pyridyl)-4-methylthiazole-5-carboxylic acid2-(2-Pyridyl)-4-methylthiazole-5-carboxylic acid4-甲基-2-(2-吡啶基)噻唑-5-羧酸4-methyl-2-(pyridin-2-yl)thiazole-5-carboxylic acid4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid4-methyl-2-(2-pyridinyl)-1,3-thiazole-5-carboxylic acid4-Methyl-2-(2-pyridyl)thiazole-5-carboxylic acid4-甲基-2-(2-吡啶基)噻唑-5-甲酸

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers

Properties