2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid

C13H14ClN3O2S — CID 114919380

IUPAC2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid
SMILESCC(C)(C)c1csc(Nc2cc(C(=O)O)c(Cl)cn2)n1
InChIInChI=1S/C13H14ClN3O2S/c1-13(2,3)9-6-20-12(16-9)17-10-4-7(11(18)19)8(14)5-15-10/h4-6H,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyLMNJECXJLIHKSF-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.93
Rot. Bonds3

About 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid

2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid (PubChem CID 114919380) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid
PubChem CID114919380
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid
SMILESCC(C)(C)c1csc(Nc2cc(C(=O)O)c(Cl)cn2)n1
InChIInChI=1S/C13H14ClN3O2S/c1-13(2,3)9-6-20-12(16-9)17-10-4-7(11(18)19)8(14)5-15-10/h4-6H,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyLMNJECXJLIHKSF-UHFFFAOYSA-N
XLogP3.93
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid
CID 114919056
2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-fluoropyridine-4-carboxylic acid
CID 105382066
5-chloro-2-(2-fluoro-4-methylanilino)pyridine-4-carboxylic acid
CID 114919175
5-chloro-2-(3-methylpentan-3-ylamino)pyridine-4-carboxylic acid
CID 106329975
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 4619806
5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114920020
2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid
CID 82030624
6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyrazine-2-carboxamide
CID 170511217
5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide
CID 62000856
4-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
CID 1473901
5-chloro-2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114920056
2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid
CID 114919117

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid?
The IUPAC name of 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid (CID 114919380) is 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid?
The canonical SMILES for 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid is CC(C)(C)c1csc(Nc2cc(C(=O)O)c(Cl)cn2)n1.
What is the InChIKey of 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid?
The InChIKey is LMNJECXJLIHKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-13(2,3)9-6-20-12(16-9)17-10-4-7(11(18)19)8(14)5-15-10/h4-6H,1-3H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid?
2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid has a molecular weight of 311.79 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 114919380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).