N-[2-(1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide

C19H13N3OS — CID 851526

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccnc1
InChIInChI=1S/C19H13N3OS/c23-18(13-6-5-11-20-12-13)21-15-8-2-1-7-14(15)19-22-16-9-3-4-10-17(16)24-19/h1-12H,(H,21,23)
InChIKeyHUAJGANTDNKMNH-UHFFFAOYSA-N
MW331.40 g/mol
LogP4.61
Rot. Bonds3

About N-[2-(1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide

N-[2-(1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 851526) has the molecular formula C19H13N3OS and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID851526
Molecular FormulaC19H13N3OS
Molecular Weight331.40 g/mol
Exact Mass331.08
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccnc1
InChIInChI=1S/C19H13N3OS/c23-18(13-6-5-11-20-12-13)21-15-8-2-1-7-14(15)19-22-16-9-3-4-10-17(16)24-19/h1-12H,(H,21,23)
InChIKeyHUAJGANTDNKMNH-UHFFFAOYSA-N
XLogP4.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1,3-benzothiazol-2-yl)phenyl]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-[2-(1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide (CID 851526) is N-[2-(1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccnc1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is HUAJGANTDNKMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3OS/c23-18(13-6-5-11-20-12-13)21-15-8-2-1-7-14(15)19-22-16-9-3-4-10-17(16)24-19/h1-12H,(H,21,23).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 851526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).