N-(2-methyl-1,3-benzothiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide

C15H13N3OS2 — CID 2091093

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C15H13N3OS2/c1-9-17-12-6-5-10(8-13(12)21-9)18-14(19)11-4-3-7-16-15(11)20-2/h3-8H,1-2H3,(H,18,19)
InChIKeyAUTNCGWSAPIJOC-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.97
Rot. Bonds3

About N-(2-methyl-1,3-benzothiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide

N-(2-methyl-1,3-benzothiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2091093) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID2091093
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C15H13N3OS2/c1-9-17-12-6-5-10(8-13(12)21-9)18-14(19)11-4-3-7-16-15(11)20-2/h3-8H,1-2H3,(H,18,19)
InChIKeyAUTNCGWSAPIJOC-UHFFFAOYSA-N
XLogP3.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methyl-1,3-benzothiazol-6-yl)-2-methylsulfanylpyridine-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

Related Compounds

N-(pyridin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 18109210
3-Amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide
CID 750059
N-(6-acetamido-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 958632
N-[Benzo[d]thiazol-2-yl]nicotinamide
CID 571618
N-[4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
CID 668683
8-Mercapto-N-(2-(thiazol-2-yl)ethyl)quinoline-3-carboxamide
CID 124081114
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
CID 2091523
4-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 2119428
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2486876
4-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
CID 7598302
N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]pyridine-3-carboxamide
CID 1258198
N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 2729277

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide (CID 2091093) is N-(2-methyl-1,3-benzothiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1ccc2nc(C)sc2c1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is AUTNCGWSAPIJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-9-17-12-6-5-10(8-13(12)21-9)18-14(19)11-4-3-7-16-15(11)20-2/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2091093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).