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

C15H12N4O2S — CID 958632

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3cccnc3)sc2c1
InChIInChI=1S/C15H12N4O2S/c1-9(20)17-11-4-5-12-13(7-11)22-15(18-12)19-14(21)10-3-2-6-16-8-10/h2-8H,1H3,(H,17,20)(H,18,19,21)
InChIKeyOXAAGHUGMQGVNE-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.90
Rot. Bonds3

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

N-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (PubChem CID 958632) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
PubChem CID958632
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3cccnc3)sc2c1
InChIInChI=1S/C15H12N4O2S/c1-9(20)17-11-4-5-12-13(7-11)22-15(18-12)19-14(21)10-3-2-6-16-8-10/h2-8H,1H3,(H,17,20)(H,18,19,21)
InChIKeyOXAAGHUGMQGVNE-UHFFFAOYSA-N
XLogP2.90
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CID 958632) is N-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is CC(=O)Nc1ccc2nc(NC(=O)c3cccnc3)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is OXAAGHUGMQGVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c1-9(20)17-11-4-5-12-13(7-11)22-15(18-12)19-14(21)10-3-2-6-16-8-10/h2-8H,1H3,(H,17,20)(H,18,19,21).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 958632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).