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

C24H17Cl2FN2O3S — CID 137122289

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

(5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 137122289) has the molecular formula C24H17Cl2FN2O3S and a molecular weight of 503.38 g/mol. Its IUPAC name is (5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 137122289
• Molecular Formula: C24H17Cl2FN2O3S
• Molecular Weight: 503.38 g/mol
• Exact Mass: 502.03
• IUPAC Name: (5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one
• SMILES: COc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)ccc1OCc1cccc(F)c1
• InChI: InChI=1S/C24H17Cl2FN2O3S/c1-31-20-11-14(8-9-19(20)32-13-15-4-2-5-16(27)10-15)12-21-23(30)29-24(33-21)28-18-7-3-6-17(25)22(18)26/h2-12H,13H2,1H3,(H,28,29,30)/b21-12-
• InChIKey: WOYOINQUSMWZIA-MTJSOVHGSA-N
• XLogP: 6.61
• TPSA: 59.92 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	6.61
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)-2-(2,3-dichlorophenyl)imino-5-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one (CID 137122289) is (5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one is COc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)ccc1OCc1cccc(F)c1.

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

The InChIKey is WOYOINQUSMWZIA-MTJSOVHGSA-N. The full InChI is InChI=1S/C24H17Cl2FN2O3S/c1-31-20-11-14(8-9-19(20)32-13-15-4-2-5-16(27)10-15)12-21-23(30)29-24(33-21)28-18-7-3-6-17(25)22(18)26/h2-12H,13H2,1H3,(H,28,29,30)/b21-12-.

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

(5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 503.38 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-(2,3-dichlorophenyl)imino-5-[[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137122289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).