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

C17H20N2OS — CID 65354678

IUPAC1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
SMILESCC(=O)c1c(N)sc2c1CCN(CCc1ccccc1)C2
InChIInChI=1S/C17H20N2OS/c1-12(20)16-14-8-10-19(11-15(14)21-17(16)18)9-7-13-5-3-2-4-6-13/h2-6H,7-11,18H2,1H3
InChIKeyAHWZGLNDUFLHPK-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.13
Rot. Bonds4

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

1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone (PubChem CID 65354678) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
PubChem CID65354678
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
SMILESCC(=O)c1c(N)sc2c1CCN(CCc1ccccc1)C2
InChIInChI=1S/C17H20N2OS/c1-12(20)16-14-8-10-19(11-15(14)21-17(16)18)9-7-13-5-3-2-4-6-13/h2-6H,7-11,18H2,1H3
InChIKeyAHWZGLNDUFLHPK-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone?
The IUPAC name of 1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone (CID 65354678) is 1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone is CC(=O)c1c(N)sc2c1CCN(CCc1ccccc1)C2.
What is the InChIKey of 1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone?
The InChIKey is AHWZGLNDUFLHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12(20)16-14-8-10-19(11-15(14)21-17(16)18)9-7-13-5-3-2-4-6-13/h2-6H,7-11,18H2,1H3.
What are the key properties of 1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone?
1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone has a molecular weight of 300.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone is sourced from PubChem (CID 65354678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).