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

C15H13N3O2S2 — CID 2527102

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cccnc3SC)sc2c1
InChIInChI=1S/C15H13N3O2S2/c1-20-9-5-6-11-12(8-9)22-15(17-11)18-13(19)10-4-3-7-16-14(10)21-2/h3-8H,1-2H3,(H,17,18,19)
InChIKeyYGELDKNXTQNKGS-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.67
Rot. Bonds4

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

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2527102) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID2527102
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cccnc3SC)sc2c1
InChIInChI=1S/C15H13N3O2S2/c1-20-9-5-6-11-12(8-9)22-15(17-11)18-13(19)10-4-3-7-16-14(10)21-2/h3-8H,1-2H3,(H,17,18,19)
InChIKeyYGELDKNXTQNKGS-UHFFFAOYSA-N
XLogP3.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methoxy-1,3-benzothiazol-2-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

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide (CID 2527102) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide is COc1ccc2nc(NC(=O)c3cccnc3SC)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is YGELDKNXTQNKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-20-9-5-6-11-12(8-9)22-15(17-11)18-13(19)10-4-3-7-16-14(10)21-2/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2527102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).