2-(3-chloro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid

C10H7ClN2O2S — CID 103442921

IUPAC2-(3-chloro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(-c2ncccc2Cl)nc1C(=O)O
InChIInChI=1S/C10H7ClN2O2S/c1-5-7(10(14)15)13-9(16-5)8-6(11)3-2-4-12-8/h2-4H,1H3,(H,14,15)
InChIKeyUELFSXUDJPPHPI-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.87
Rot. Bonds2

About 2-(3-chloro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid

2-(3-chloro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 103442921) has the molecular formula C10H7ClN2O2S and a molecular weight of 254.70 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID103442921
Molecular FormulaC10H7ClN2O2S
Molecular Weight254.70 g/mol
Exact Mass253.99
IUPAC Name2-(3-chloro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(-c2ncccc2Cl)nc1C(=O)O
InChIInChI=1S/C10H7ClN2O2S/c1-5-7(10(14)15)13-9(16-5)8-6(11)3-2-4-12-8/h2-4H,1H3,(H,14,15)
InChIKeyUELFSXUDJPPHPI-UHFFFAOYSA-N
XLogP2.87
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloroquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115959776
2-isoquinolin-1-yl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306488
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 103596049
5-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 15623088
2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 114556484
5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid
CID 106512241
2-[(2-chlorophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306604
2-(2-chlorophenoxy)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 66509643
2-(4-hydroxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 136927712
2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424811
2-(3-chloro-2-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306588
2-(2-chloro-3,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422373

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 103442921) is 2-(3-chloro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid is Cc1sc(-c2ncccc2Cl)nc1C(=O)O.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is UELFSXUDJPPHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2S/c1-5-7(10(14)15)13-9(16-5)8-6(11)3-2-4-12-8/h2-4H,1H3,(H,14,15).
What are the key properties of 2-(3-chloro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(3-chloro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 254.70 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 103442921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).