5-chloro-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

C11H9ClN2OS — CID 750373

IUPAC5-chloro-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(Cl)s1
InChIInChI=1S/C11H9ClN2OS/c12-10-5-4-9(16-10)11(15)14-7-8-3-1-2-6-13-8/h1-6H,7H2,(H,14,15)
InChIKeyWSYRBSHTKGZZFQ-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.73
Rot. Bonds3

About 5-chloro-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

5-chloro-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 750373) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 5-chloro-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
PubChem CID750373
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name5-chloro-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(Cl)s1
InChIInChI=1S/C11H9ClN2OS/c12-10-5-4-9(16-10)11(15)14-7-8-3-1-2-6-13-8/h1-6H,7H2,(H,14,15)
InChIKeyWSYRBSHTKGZZFQ-UHFFFAOYSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-(pyridin-2-ylmethyl)thiophene-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 5-chloro-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (CID 750373) is 5-chloro-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide is O=C(NCc1ccccn1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is WSYRBSHTKGZZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c12-10-5-4-9(16-10)11(15)14-7-8-3-1-2-6-13-8/h1-6H,7H2,(H,14,15).
What are the key properties of 5-chloro-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
5-chloro-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 252.73 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 750373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).