2-amino-4-(3-chlorophenyl)-N-(6-oxo-1H-pyridin-3-yl)-1,3-benzothiazole-6-carboxamide

C19H13ClN4O2S — CID 177330844

IUPAC2-amino-4-(3-chlorophenyl)-N-(6-oxo-1H-pyridin-3-yl)-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2c(-c3cccc(Cl)c3)cc(C(=O)Nc3ccc(=O)[nH]c3)cc2s1
InChIInChI=1S/C19H13ClN4O2S/c20-12-3-1-2-10(6-12)14-7-11(8-15-17(14)24-19(21)27-15)18(26)23-13-4-5-16(25)22-9-13/h1-9H,(H2,21,24)(H,22,25)(H,23,26)
InChIKeyMRTAEQQBZUOLKD-UHFFFAOYSA-N
MW396.86 g/mol
LogP4.14
Rot. Bonds3

About 2-amino-4-(3-chlorophenyl)-N-(6-oxo-1H-pyridin-3-yl)-1,3-benzothiazole-6-carboxamide

2-amino-4-(3-chlorophenyl)-N-(6-oxo-1H-pyridin-3-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 177330844) has the molecular formula C19H13ClN4O2S and a molecular weight of 396.86 g/mol. Its IUPAC name is 2-amino-4-(3-chlorophenyl)-N-(6-oxo-1H-pyridin-3-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-(3-chlorophenyl)-N-(6-oxo-1H-pyridin-3-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID177330844
Molecular FormulaC19H13ClN4O2S
Molecular Weight396.86 g/mol
Exact Mass396.04
IUPAC Name2-amino-4-(3-chlorophenyl)-N-(6-oxo-1H-pyridin-3-yl)-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2c(-c3cccc(Cl)c3)cc(C(=O)Nc3ccc(=O)[nH]c3)cc2s1
InChIInChI=1S/C19H13ClN4O2S/c20-12-3-1-2-10(6-12)14-7-11(8-15-17(14)24-19(21)27-15)18(26)23-13-4-5-16(25)22-9-13/h1-9H,(H2,21,24)(H,22,25)(H,23,26)
InChIKeyMRTAEQQBZUOLKD-UHFFFAOYSA-N
XLogP4.14
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.86
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(3-chlorophenyl)-N-(6-oxo-1H-pyridin-3-yl)-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[2-amino-4-(3-chlorophenyl)-1,3-benzothiazol-6-yl]methyl]phenyl]hydroxylamine
CID 143810401
N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide
CID 91680533
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
N-(6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide
CID 110724902
2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 16658823
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 91680458
N-(2-amino-1,3-benzothiazol-6-yl)benzamide
CID 823541
2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
5-[5-amino-4-(3-chlorophenyl)-1-methylpyrazol-3-yl]-1H-pyridin-2-one
CID 136710573
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide
CID 91680546
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide
CID 91680564
2-chloro-6-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 110724904

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chlorophenyl)-N-(6-oxo-1H-pyridin-3-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-4-(3-chlorophenyl)-N-(6-oxo-1H-pyridin-3-yl)-1,3-benzothiazole-6-carboxamide (CID 177330844) is 2-amino-4-(3-chlorophenyl)-N-(6-oxo-1H-pyridin-3-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-4-(3-chlorophenyl)-N-(6-oxo-1H-pyridin-3-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-4-(3-chlorophenyl)-N-(6-oxo-1H-pyridin-3-yl)-1,3-benzothiazole-6-carboxamide is Nc1nc2c(-c3cccc(Cl)c3)cc(C(=O)Nc3ccc(=O)[nH]c3)cc2s1.
What is the InChIKey of 2-amino-4-(3-chlorophenyl)-N-(6-oxo-1H-pyridin-3-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is MRTAEQQBZUOLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2S/c20-12-3-1-2-10(6-12)14-7-11(8-15-17(14)24-19(21)27-15)18(26)23-13-4-5-16(25)22-9-13/h1-9H,(H2,21,24)(H,22,25)(H,23,26).
What are the key properties of 2-amino-4-(3-chlorophenyl)-N-(6-oxo-1H-pyridin-3-yl)-1,3-benzothiazole-6-carboxamide?
2-amino-4-(3-chlorophenyl)-N-(6-oxo-1H-pyridin-3-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 396.86 g/mol, XLogP of 4.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chlorophenyl)-N-(6-oxo-1H-pyridin-3-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 177330844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).