ethyl 6-benzyl-2-[(5-methylfuran-2-yl)methylideneamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C23H24N2O3S — CID 23972810

About ethyl 6-benzyl-2-[(5-methylfuran-2-yl)methylideneamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

ethyl 6-benzyl-2-[(5-methylfuran-2-yl)methylideneamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 23972810) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is ethyl 6-benzyl-2-[(5-methylfuran-2-yl)methylideneamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-benzyl-2-[(5-methylfuran-2-yl)methylideneamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
• PubChem CID: 23972810
• Molecular Formula: C23H24N2O3S
• Molecular Weight: 408.52 g/mol
• Exact Mass: 408.15
• IUPAC Name: ethyl 6-benzyl-2-[(5-methylfuran-2-yl)methylideneamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1c(N=Cc2ccc(C)o2)sc2c1CCN(Cc1ccccc1)C2
• InChI: InChI=1S/C23H24N2O3S/c1-3-27-23(26)21-19-11-12-25(14-17-7-5-4-6-8-17)15-20(19)29-22(21)24-13-18-10-9-16(2)28-18/h4-10,13H,3,11-12,14-15H2,1-2H3
• InChIKey: GPQISGCJWDGKAC-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 55.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.52
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	0
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 ethyl 6-benzyl-2-[(5-methylfuran-2-yl)methylideneamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?

The IUPAC name of ethyl 6-benzyl-2-[(5-methylfuran-2-yl)methylideneamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 23972810) is ethyl 6-benzyl-2-[(5-methylfuran-2-yl)methylideneamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 6-benzyl-2-[(5-methylfuran-2-yl)methylideneamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?

The canonical SMILES for ethyl 6-benzyl-2-[(5-methylfuran-2-yl)methylideneamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is CCOC(=O)c1c(N=Cc2ccc(C)o2)sc2c1CCN(Cc1ccccc1)C2.

What is the InChIKey of ethyl 6-benzyl-2-[(5-methylfuran-2-yl)methylideneamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?

The InChIKey is GPQISGCJWDGKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-3-27-23(26)21-19-11-12-25(14-17-7-5-4-6-8-17)15-20(19)29-22(21)24-13-18-10-9-16(2)28-18/h4-10,13H,3,11-12,14-15H2,1-2H3.

What are the key properties of ethyl 6-benzyl-2-[(5-methylfuran-2-yl)methylideneamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?

ethyl 6-benzyl-2-[(5-methylfuran-2-yl)methylideneamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 408.52 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-benzyl-2-[(5-methylfuran-2-yl)methylideneamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 23972810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).