5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one

C13H13ClN2OS — CID 81251733

IUPAC5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one
SMILESCn1cc(NC2CCc3sc(Cl)cc32)ccc1=O
InChIInChI=1S/C13H13ClN2OS/c1-16-7-8(2-5-13(16)17)15-10-3-4-11-9(10)6-12(14)18-11/h2,5-7,10,15H,3-4H2,1H3
InChIKeyCPAGKUFBAGZBLO-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.20
Rot. Bonds2

About 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one

5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one (PubChem CID 81251733) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one
PubChem CID81251733
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one
SMILESCn1cc(NC2CCc3sc(Cl)cc32)ccc1=O
InChIInChI=1S/C13H13ClN2OS/c1-16-7-8(2-5-13(16)17)15-10-3-4-11-9(10)6-12(14)18-11/h2,5-7,10,15H,3-4H2,1H3
InChIKeyCPAGKUFBAGZBLO-UHFFFAOYSA-N
XLogP3.20
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one 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-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one?
The IUPAC name of 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one (CID 81251733) is 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one is Cn1cc(NC2CCc3sc(Cl)cc32)ccc1=O.
What is the InChIKey of 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one?
The InChIKey is CPAGKUFBAGZBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-16-7-8(2-5-13(16)17)15-10-3-4-11-9(10)6-12(14)18-11/h2,5-7,10,15H,3-4H2,1H3.
What are the key properties of 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one?
5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one has a molecular weight of 280.78 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one is sourced from PubChem (CID 81251733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).