(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-3-(4-methylphenyl)-1,3-thiazolidin-4-one

C25H20Cl2N2O3S — CID 16633172

About (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-3-(4-methylphenyl)-1,3-thiazolidin-4-one

(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-3-(4-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 16633172) has the molecular formula C25H20Cl2N2O3S and a molecular weight of 499.42 g/mol. Its IUPAC name is (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-3-(4-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-3-(4-methylphenyl)-1,3-thiazolidin-4-one
• PubChem CID: 16633172
• Molecular Formula: C25H20Cl2N2O3S
• Molecular Weight: 499.42 g/mol
• Exact Mass: 498.06
• IUPAC Name: (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-3-(4-methylphenyl)-1,3-thiazolidin-4-one
• SMILES: [H]/N=C1\S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)N1c1ccc(C)cc1
• InChI: InChI=1S/C25H20Cl2N2O3S/c1-15-3-8-19(9-4-15)29-24(30)23(33-25(29)28)12-16-5-10-21(22(11-16)31-2)32-14-17-6-7-18(26)13-20(17)27/h3-13,28H,14H2,1-2H3/b23-12-,28-25-
• InChIKey: QMOPWBOPENBSDU-CZBWAYQSSA-N
• XLogP: 6.95
• TPSA: 62.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.42
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'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-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-3-(4-methylphenyl)-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-3-(4-methylphenyl)-1,3-thiazolidin-4-one (CID 16633172) is (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-3-(4-methylphenyl)-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-3-(4-methylphenyl)-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)N1c1ccc(C)cc1.

What is the InChIKey of (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-3-(4-methylphenyl)-1,3-thiazolidin-4-one?

The InChIKey is QMOPWBOPENBSDU-CZBWAYQSSA-N. The full InChI is InChI=1S/C25H20Cl2N2O3S/c1-15-3-8-19(9-4-15)29-24(30)23(33-25(29)28)12-16-5-10-21(22(11-16)31-2)32-14-17-6-7-18(26)13-20(17)27/h3-13,28H,14H2,1-2H3/b23-12-,28-25-.

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

(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-3-(4-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 499.42 g/mol, XLogP of 6.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-3-(4-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16633172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).