(2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

C35H33Cl2N3O6S — CID 16628158

About (2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

(2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 16628158) has the molecular formula C35H33Cl2N3O6S and a molecular weight of 694.64 g/mol. Its IUPAC name is (2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 16628158
• Molecular Formula: C35H33Cl2N3O6S
• Molecular Weight: 694.64 g/mol
• Exact Mass: 693.15
• IUPAC Name: (2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
• SMILES: COc1cc(/C=N/N=C2\S/C(=C\c3ccc(OCC(C)C)c(OC)c3)C(=O)N2Cc2ccco2)ccc1OCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C35H33Cl2N3O6S/c1-22(2)20-45-29-11-7-23(14-31(29)42-3)16-33-34(41)40(19-27-6-5-13-44-27)35(47-33)39-38-18-24-8-12-30(32(15-24)43-4)46-21-25-9-10-26(36)17-28(25)37/h5-18,22H,19-21H2,1-4H3/b33-16-,38-18+,39-35-
• InChIKey: NGEWGJOWLKKTPE-XSKVBGHTSA-N
• XLogP: 8.72
• TPSA: 95.09 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.64
LogP ≤ 5	8.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (CID 16628158) is (2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is COc1cc(/C=N/N=C2\S/C(=C\c3ccc(OCC(C)C)c(OC)c3)C(=O)N2Cc2ccco2)ccc1OCc1ccc(Cl)cc1Cl.

What is the InChIKey of (2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?

The InChIKey is NGEWGJOWLKKTPE-XSKVBGHTSA-N. The full InChI is InChI=1S/C35H33Cl2N3O6S/c1-22(2)20-45-29-11-7-23(14-31(29)42-3)16-33-34(41)40(19-27-6-5-13-44-27)35(47-33)39-38-18-24-8-12-30(32(15-24)43-4)46-21-25-9-10-26(36)17-28(25)37/h5-18,22H,19-21H2,1-4H3/b33-16-,38-18+,39-35-.

What are the key properties of (2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?

(2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 694.64 g/mol, XLogP of 8.72, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5Z)-2-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16628158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).