(5Z)-2-(4-chlorophenyl)imino-5-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one

C23H14ClN3O2S2 — CID 137036263

About (5Z)-2-(4-chlorophenyl)imino-5-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(4-chlorophenyl)imino-5-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137036263) has the molecular formula C23H14ClN3O2S2 and a molecular weight of 463.97 g/mol. Its IUPAC name is (5Z)-2-(4-chlorophenyl)imino-5-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-(4-chlorophenyl)imino-5-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 137036263
• Molecular Formula: C23H14ClN3O2S2
• Molecular Weight: 463.97 g/mol
• Exact Mass: 463.02
• IUPAC Name: (5Z)-2-(4-chlorophenyl)imino-5-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
• SMILES: O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1ccc(Sc2cccc3cccnc23)o1
• InChI: InChI=1S/C23H14ClN3O2S2/c24-15-6-8-16(9-7-15)26-23-27-22(28)19(31-23)13-17-10-11-20(29-17)30-18-5-1-3-14-4-2-12-25-21(14)18/h1-13H,(H,26,27,28)/b19-13-
• InChIKey: YMMNFRLNTWWIMC-UYRXBGFRSA-N
• XLogP: 6.52
• TPSA: 67.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.97
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-chlorophenyl)imino-5-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-(4-chlorophenyl)imino-5-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 137036263) is (5Z)-2-(4-chlorophenyl)imino-5-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-2-(4-chlorophenyl)imino-5-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-2-(4-chlorophenyl)imino-5-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1ccc(Sc2cccc3cccnc23)o1.

What is the InChIKey of (5Z)-2-(4-chlorophenyl)imino-5-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?

The InChIKey is YMMNFRLNTWWIMC-UYRXBGFRSA-N. The full InChI is InChI=1S/C23H14ClN3O2S2/c24-15-6-8-16(9-7-15)26-23-27-22(28)19(31-23)13-17-10-11-20(29-17)30-18-5-1-3-14-4-2-12-25-21(14)18/h1-13H,(H,26,27,28)/b19-13-.

What are the key properties of (5Z)-2-(4-chlorophenyl)imino-5-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?

(5Z)-2-(4-chlorophenyl)imino-5-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 463.97 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-(4-chlorophenyl)imino-5-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137036263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).