5-[[7-[3-[(4-methoxyphenyl)methoxy]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C25H18N2O4S2 — CID 154209513

About 5-[[7-[3-[(4-methoxyphenyl)methoxy]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

5-[[7-[3-[(4-methoxyphenyl)methoxy]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 154209513) has the molecular formula C25H18N2O4S2 and a molecular weight of 474.56 g/mol. Its IUPAC name is 5-[[7-[3-[(4-methoxyphenyl)methoxy]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 5-[[7-[3-[(4-methoxyphenyl)methoxy]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 154209513
• Molecular Formula: C25H18N2O4S2
• Molecular Weight: 474.56 g/mol
• Exact Mass: 474.07
• IUPAC Name: 5-[[7-[3-[(4-methoxyphenyl)methoxy]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: COc1ccc(COc2cccc(-c3cncc4cc(C=C5SC(=S)NC5=O)oc34)c2)cc1
• InChI: InChI=1S/C25H18N2O4S2/c1-29-18-7-5-15(6-8-18)14-30-19-4-2-3-16(9-19)21-13-26-12-17-10-20(31-23(17)21)11-22-24(28)27-25(32)33-22/h2-13H,14H2,1H3,(H,27,28,32)
• InChIKey: UJQKLYNSFGGQJM-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.56
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[7-[3-[(4-methoxyphenyl)methoxy]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of 5-[[7-[3-[(4-methoxyphenyl)methoxy]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 154209513) is 5-[[7-[3-[(4-methoxyphenyl)methoxy]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

What is the SMILES notation for 5-[[7-[3-[(4-methoxyphenyl)methoxy]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The canonical SMILES for 5-[[7-[3-[(4-methoxyphenyl)methoxy]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ccc(COc2cccc(-c3cncc4cc(C=C5SC(=S)NC5=O)oc34)c2)cc1.

What is the InChIKey of 5-[[7-[3-[(4-methoxyphenyl)methoxy]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The InChIKey is UJQKLYNSFGGQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O4S2/c1-29-18-7-5-15(6-8-18)14-30-19-4-2-3-16(9-19)21-13-26-12-17-10-20(31-23(17)21)11-22-24(28)27-25(32)33-22/h2-13H,14H2,1H3,(H,27,28,32).

What are the key properties of 5-[[7-[3-[(4-methoxyphenyl)methoxy]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

5-[[7-[3-[(4-methoxyphenyl)methoxy]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 474.56 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[7-[3-[(4-methoxyphenyl)methoxy]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 154209513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).