5-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid

C14H10ClN3O2S — CID 114919056

IUPAC5-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid
SMILESCc1ccc2nc(Nc3cc(C(=O)O)c(Cl)cn3)sc2c1
InChIInChI=1S/C14H10ClN3O2S/c1-7-2-3-10-11(4-7)21-14(17-10)18-12-5-8(13(19)20)9(15)6-16-12/h2-6H,1H3,(H,19,20)(H,16,17,18)
InChIKeyKGYWJAHKAZUOEW-UHFFFAOYSA-N
MW319.77 g/mol
LogP4.09
Rot. Bonds3

About 5-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid

5-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid (PubChem CID 114919056) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is 5-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid
PubChem CID114919056
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC Name5-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid
SMILESCc1ccc2nc(Nc3cc(C(=O)O)c(Cl)cn3)sc2c1
InChIInChI=1S/C14H10ClN3O2S/c1-7-2-3-10-11(4-7)21-14(17-10)18-12-5-8(13(19)20)9(15)6-16-12/h2-6H,1H3,(H,19,20)(H,16,17,18)
InChIKeyKGYWJAHKAZUOEW-UHFFFAOYSA-N
XLogP4.09
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid
CID 39855236
5-chloro-2-(2-fluoro-4-methylanilino)pyridine-4-carboxylic acid
CID 114919175
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine
CID 87379371
6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 78908955
6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151807
6-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581595
2-[(5-fluoro-2-pyridinyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 87722740
2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701477
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
N'-[5-amino-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19150088
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid (CID 114919056) is 5-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid is Cc1ccc2nc(Nc3cc(C(=O)O)c(Cl)cn3)sc2c1.
What is the InChIKey of 5-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is KGYWJAHKAZUOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c1-7-2-3-10-11(4-7)21-14(17-10)18-12-5-8(13(19)20)9(15)6-16-12/h2-6H,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 5-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid?
5-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 319.77 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).