1-[4-(2-aminophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

C15H16N2OS — CID 154848950

IUPAC1-[4-(2-aminophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2sccc2C1c1ccccc1N
InChIInChI=1S/C15H16N2OS/c1-10(18)17-8-6-14-12(7-9-19-14)15(17)11-4-2-3-5-13(11)16/h2-5,7,9,15H,6,8,16H2,1H3
InChIKeyYNJIJLGHDWUJDT-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.82
Rot. Bonds1

About 1-[4-(2-aminophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

1-[4-(2-aminophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (PubChem CID 154848950) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-[4-(2-aminophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-aminophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
PubChem CID154848950
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-[4-(2-aminophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2sccc2C1c1ccccc1N
InChIInChI=1S/C15H16N2OS/c1-10(18)17-8-6-14-12(7-9-19-14)15(17)11-4-2-3-5-13(11)16/h2-5,7,9,15H,6,8,16H2,1H3
InChIKeyYNJIJLGHDWUJDT-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[4-(2-aminophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone 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 1-[4-(2-aminophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[4-(2-aminophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone (CID 154848950) is 1-[4-(2-aminophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[4-(2-aminophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[4-(2-aminophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2sccc2C1c1ccccc1N.
What is the InChIKey of 1-[4-(2-aminophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
The InChIKey is YNJIJLGHDWUJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10(18)17-8-6-14-12(7-9-19-14)15(17)11-4-2-3-5-13(11)16/h2-5,7,9,15H,6,8,16H2,1H3.
What are the key properties of 1-[4-(2-aminophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone?
1-[4-(2-aminophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone has a molecular weight of 272.37 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 154848950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).