N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide

C13H8N4O3S — CID 731722

IUPACN-(6-nitro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccncc1
InChIInChI=1S/C13H8N4O3S/c18-12(8-3-5-14-6-4-8)16-13-15-10-2-1-9(17(19)20)7-11(10)21-13/h1-7H,(H,15,16,18)
InChIKeyFQPPHAPMZJCVEL-UHFFFAOYSA-N
MW300.30 g/mol
LogP2.85
Rot. Bonds3

About N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide

N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide (PubChem CID 731722) has the molecular formula C13H8N4O3S and a molecular weight of 300.30 g/mol. Its IUPAC name is N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-nitro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
PubChem CID731722
Molecular FormulaC13H8N4O3S
Molecular Weight300.30 g/mol
Exact Mass300.03
IUPAC NameN-(6-nitro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccncc1
InChIInChI=1S/C13H8N4O3S/c18-12(8-3-5-14-6-4-8)16-13-15-10-2-1-9(17(19)20)7-11(10)21-13/h1-7H,(H,15,16,18)
InChIKeyFQPPHAPMZJCVEL-UHFFFAOYSA-N
XLogP2.85
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-4-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-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 958632
N-[Benzo[d]thiazol-2-yl]nicotinamide
CID 571618
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2486876
3-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 3598848
4-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4877774
2-nitro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 5048792
N-[2,2,2-trifluoro-1-({6-nitro-1,3-benzothiazol-2-yl}amino)-1-(trifluoromethyl)ethyl]benzamide
CID 570353
2-Amino-benzothiazole-6-carboxylic acid (3-methyl-pyridin-2-yl)-amide
CID 652148
2,6-difluoro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 831933
N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide
CID 1258198
N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2444453
N3-(6-nitro-1,3-benzothiazol-2-yl)-2-[(3,4,5-trifluorophenyl)amino]-3-pyridine carboxamide
CID 54765287

Frequently Asked Questions

What is the IUPAC name of N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide (CID 731722) is N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide is O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccncc1.
What is the InChIKey of N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is FQPPHAPMZJCVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O3S/c18-12(8-3-5-14-6-4-8)16-13-15-10-2-1-9(17(19)20)7-11(10)21-13/h1-7H,(H,15,16,18).
What are the key properties of N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide?
N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 300.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 731722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).