3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazolidin-2-one

C18H18N2O2S2 — CID 18093681

About 3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazolidin-2-one

3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazolidin-2-one (PubChem CID 18093681) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazolidin-2-one
• PubChem CID: 18093681
• Molecular Formula: C18H18N2O2S2
• Molecular Weight: 358.49 g/mol
• Exact Mass: 358.08
• IUPAC Name: 3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazolidin-2-one
• SMILES: O=C1SCCN1CC(=O)N1CCc2sccc2C1c1ccccc1
• InChI: InChI=1S/C18H18N2O2S2/c21-16(12-19-9-11-24-18(19)22)20-8-6-15-14(7-10-23-15)17(20)13-4-2-1-3-5-13/h1-5,7,10,17H,6,8-9,11-12H2
• InChIKey: BAGYTAXEGONSBD-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 40.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.49
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazolidin-2-one?

The IUPAC name of 3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazolidin-2-one (CID 18093681) is 3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazolidin-2-one.

What is the SMILES notation for 3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazolidin-2-one?

The canonical SMILES for 3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazolidin-2-one is O=C1SCCN1CC(=O)N1CCc2sccc2C1c1ccccc1.

What is the InChIKey of 3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazolidin-2-one?

The InChIKey is BAGYTAXEGONSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c21-16(12-19-9-11-24-18(19)22)20-8-6-15-14(7-10-23-15)17(20)13-4-2-1-3-5-13/h1-5,7,10,17H,6,8-9,11-12H2.

What are the key properties of 3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazolidin-2-one?

3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazolidin-2-one has a molecular weight of 358.49 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 18093681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).