(5Z)-5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one

C23H15Cl3N2O2S — CID 137155679

About (5Z)-5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one

(5Z)-5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 137155679) has the molecular formula C23H15Cl3N2O2S and a molecular weight of 489.81 g/mol. Its IUPAC name is (5Z)-5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one
• PubChem CID: 137155679
• Molecular Formula: C23H15Cl3N2O2S
• Molecular Weight: 489.81 g/mol
• Exact Mass: 487.99
• IUPAC Name: (5Z)-5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one
• SMILES: O=C1N/C(=N\c2cccc(Cl)c2)S/C1=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1
• InChI: InChI=1S/C23H15Cl3N2O2S/c24-16-4-1-3-14(9-16)13-30-20-8-7-18(26)10-15(20)11-21-22(29)28-23(31-21)27-19-6-2-5-17(25)12-19/h1-12H,13H2,(H,27,28,29)/b21-11-
• InChIKey: KHIGIVWBSBBMKQ-NHDPSOOVSA-N
• XLogP: 7.12
• TPSA: 50.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.81
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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)-5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one (CID 137155679) is (5Z)-5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2cccc(Cl)c2)S/C1=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1.

What is the InChIKey of (5Z)-5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one?

The InChIKey is KHIGIVWBSBBMKQ-NHDPSOOVSA-N. The full InChI is InChI=1S/C23H15Cl3N2O2S/c24-16-4-1-3-14(9-16)13-30-20-8-7-18(26)10-15(20)11-21-22(29)28-23(31-21)27-19-6-2-5-17(25)12-19/h1-12H,13H2,(H,27,28,29)/b21-11-.

What are the key properties of (5Z)-5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one?

(5Z)-5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 489.81 g/mol, XLogP of 7.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137155679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).