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

C24H17Cl2FN2O3S — CID 16633356

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

(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one (PubChem CID 16633356) has the molecular formula C24H17Cl2FN2O3S and a molecular weight of 503.38 g/mol. Its IUPAC name is (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
• PubChem CID: 16633356
• Molecular Formula: C24H17Cl2FN2O3S
• Molecular Weight: 503.38 g/mol
• Exact Mass: 502.03
• IUPAC Name: (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
• SMILES: [H]/N=C1\S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)N1c1ccc(F)cc1
• InChI: InChI=1S/C24H17Cl2FN2O3S/c1-31-21-10-14(2-9-20(21)32-13-15-3-4-16(25)12-19(15)26)11-22-23(30)29(24(28)33-22)18-7-5-17(27)6-8-18/h2-12,28H,13H2,1H3/b22-11-,28-24-
• InChIKey: KEZGFEGRIVRRSZ-FOSDCVLMSA-N
• XLogP: 6.78
• TPSA: 62.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.38
LogP ≤ 5	6.78
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]-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one (CID 16633356) is (5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one.

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

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

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

The InChIKey is KEZGFEGRIVRRSZ-FOSDCVLMSA-N. The full InChI is InChI=1S/C24H17Cl2FN2O3S/c1-31-21-10-14(2-9-20(21)32-13-15-3-4-16(25)12-19(15)26)11-22-23(30)29(24(28)33-22)18-7-5-17(27)6-8-18/h2-12,28H,13H2,1H3/b22-11-,28-24-.

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

(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one has a molecular weight of 503.38 g/mol, XLogP of 6.78, 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]-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 16633356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).