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

C14H11N3OS2 — CID 2091523

IUPACN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
SMILESCSc1nc2ccc(NC(=O)c3ccccn3)cc2s1
InChIInChI=1S/C14H11N3OS2/c1-19-14-17-10-6-5-9(8-12(10)20-14)16-13(18)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,18)
InChIKeyLHWVRSDAUUGLBM-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.67
Rot. Bonds3

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

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide (PubChem CID 2091523) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
PubChem CID2091523
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
SMILESCSc1nc2ccc(NC(=O)c3ccccn3)cc2s1
InChIInChI=1S/C14H11N3OS2/c1-19-14-17-10-6-5-9(8-12(10)20-14)16-13(18)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,18)
InChIKeyLHWVRSDAUUGLBM-UHFFFAOYSA-N
XLogP3.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-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-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide (CID 2091523) is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide is CSc1nc2ccc(NC(=O)c3ccccn3)cc2s1.
What is the InChIKey of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide?
The InChIKey is LHWVRSDAUUGLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2/c1-19-14-17-10-6-5-9(8-12(10)20-14)16-13(18)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,18).
What are the key properties of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide?
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide has a molecular weight of 301.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide is sourced from PubChem (CID 2091523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).