(5Z)-5-[[5-[(2,3-dichlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C24H15Cl4NO4S — CID 23562681

About (5Z)-5-[[5-[(2,3-dichlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[5-[(2,3-dichlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 23562681) has the molecular formula C24H15Cl4NO4S and a molecular weight of 555.27 g/mol. Its IUPAC name is (5Z)-5-[[5-[(2,3-dichlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[5-[(2,3-dichlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
• PubChem CID: 23562681
• Molecular Formula: C24H15Cl4NO4S
• Molecular Weight: 555.27 g/mol
• Exact Mass: 552.95
• IUPAC Name: (5Z)-5-[[5-[(2,3-dichlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
• SMILES: O=C1NC(=O)/C(=C/c2cc(OCc3cccc(Cl)c3Cl)ccc2OCc2ccc(Cl)c(Cl)c2)S1
• InChI: InChI=1S/C24H15Cl4NO4S/c25-17-6-4-13(8-19(17)27)11-33-20-7-5-16(32-12-14-2-1-3-18(26)22(14)28)9-15(20)10-21-23(30)29-24(31)34-21/h1-10H,11-12H2,(H,29,30,31)/b21-10-
• InChIKey: ANMONIWIUOTMDQ-FBHDLOMBSA-N
• XLogP: 7.78
• TPSA: 64.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.27
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-[(2,3-dichlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-5-[[5-[(2,3-dichlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 23562681) is (5Z)-5-[[5-[(2,3-dichlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-[[5-[(2,3-dichlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[[5-[(2,3-dichlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cc(OCc3cccc(Cl)c3Cl)ccc2OCc2ccc(Cl)c(Cl)c2)S1.

What is the InChIKey of (5Z)-5-[[5-[(2,3-dichlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The InChIKey is ANMONIWIUOTMDQ-FBHDLOMBSA-N. The full InChI is InChI=1S/C24H15Cl4NO4S/c25-17-6-4-13(8-19(17)27)11-33-20-7-5-16(32-12-14-2-1-3-18(26)22(14)28)9-15(20)10-21-23(30)29-24(31)34-21/h1-10H,11-12H2,(H,29,30,31)/b21-10-.

What are the key properties of (5Z)-5-[[5-[(2,3-dichlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

(5Z)-5-[[5-[(2,3-dichlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 555.27 g/mol, XLogP of 7.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[5-[(2,3-dichlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 23562681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).