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

C16H18N4OS — CID 165143241

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

1-[6-[(6-amino-5-methanimidoyl-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone (PubChem CID 165143241) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-[6-[(6-amino-5-methanimidoyl-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[6-[(6-amino-5-methanimidoyl-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
• PubChem CID: 165143241
• Molecular Formula: C16H18N4OS
• Molecular Weight: 314.41 g/mol
• Exact Mass: 314.12
• IUPAC Name: 1-[6-[(6-amino-5-methanimidoyl-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone
• SMILES: [H]/N=C/c1cc(CN2CCc3c(C(C)=O)csc3C2)cnc1N
• InChI: InChI=1S/C16H18N4OS/c1-10(21)14-9-22-15-8-20(3-2-13(14)15)7-11-4-12(5-17)16(18)19-6-11/h4-6,9,17H,2-3,7-8H2,1H3,(H2,18,19)/b17-5+
• InChIKey: DFAUNPBSMSFMRW-YAXRCOADSA-N
• XLogP: 2.48
• TPSA: 83.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.41
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(6-amino-5-methanimidoyl-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone?

The IUPAC name of 1-[6-[(6-amino-5-methanimidoyl-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone (CID 165143241) is 1-[6-[(6-amino-5-methanimidoyl-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone.

What is the SMILES notation for 1-[6-[(6-amino-5-methanimidoyl-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone?

The canonical SMILES for 1-[6-[(6-amino-5-methanimidoyl-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone is [H]/N=C/c1cc(CN2CCc3c(C(C)=O)csc3C2)cnc1N.

What is the InChIKey of 1-[6-[(6-amino-5-methanimidoyl-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone?

The InChIKey is DFAUNPBSMSFMRW-YAXRCOADSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-10(21)14-9-22-15-8-20(3-2-13(14)15)7-11-4-12(5-17)16(18)19-6-11/h4-6,9,17H,2-3,7-8H2,1H3,(H2,18,19)/b17-5+.

What are the key properties of 1-[6-[(6-amino-5-methanimidoyl-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone?

1-[6-[(6-amino-5-methanimidoyl-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone has a molecular weight of 314.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[(6-amino-5-methanimidoyl-3-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]ethanone is sourced from PubChem (CID 165143241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).