(5Z)-3-(2,4-dichlorophenyl)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C25H14Cl4N2OS2 — CID 126335698

About (5Z)-3-(2,4-dichlorophenyl)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-(2,4-dichlorophenyl)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 126335698) has the molecular formula C25H14Cl4N2OS2 and a molecular weight of 564.35 g/mol. Its IUPAC name is (5Z)-3-(2,4-dichlorophenyl)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-3-(2,4-dichlorophenyl)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 126335698
• Molecular Formula: C25H14Cl4N2OS2
• Molecular Weight: 564.35 g/mol
• Exact Mass: 561.93
• IUPAC Name: (5Z)-3-(2,4-dichlorophenyl)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C25H14Cl4N2OS2/c26-16-6-5-14(19(28)10-16)12-30-13-15(18-3-1-2-4-21(18)30)9-23-24(32)31(25(33)34-23)22-8-7-17(27)11-20(22)29/h1-11,13H,12H2/b23-9-
• InChIKey: FVSDILDYEIHNEV-AQHIEDMUSA-N
• XLogP: 8.71
• TPSA: 25.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.35
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2,4-dichlorophenyl)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-3-(2,4-dichlorophenyl)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 126335698) is (5Z)-3-(2,4-dichlorophenyl)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-3-(2,4-dichlorophenyl)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-3-(2,4-dichlorophenyl)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1Cl.

What is the InChIKey of (5Z)-3-(2,4-dichlorophenyl)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The InChIKey is FVSDILDYEIHNEV-AQHIEDMUSA-N. The full InChI is InChI=1S/C25H14Cl4N2OS2/c26-16-6-5-14(19(28)10-16)12-30-13-15(18-3-1-2-4-21(18)30)9-23-24(32)31(25(33)34-23)22-8-7-17(27)11-20(22)29/h1-11,13H,12H2/b23-9-.

What are the key properties of (5Z)-3-(2,4-dichlorophenyl)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

(5Z)-3-(2,4-dichlorophenyl)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 564.35 g/mol, XLogP of 8.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-3-(2,4-dichlorophenyl)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 126335698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).