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

C24H15Cl4NO3S2 — CID 126338397

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

(5Z)-3-(2,4-dichlorophenyl)-5-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 126338397) has the molecular formula C24H15Cl4NO3S2 and a molecular weight of 571.33 g/mol. Its IUPAC name is (5Z)-3-(2,4-dichlorophenyl)-5-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-3-(2,4-dichlorophenyl)-5-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 126338397
• Molecular Formula: C24H15Cl4NO3S2
• Molecular Weight: 571.33 g/mol
• Exact Mass: 568.92
• IUPAC Name: (5Z)-3-(2,4-dichlorophenyl)-5-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c1OCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C24H15Cl4NO3S2/c1-31-20-4-2-3-13(22(20)32-12-14-5-6-15(25)10-17(14)27)9-21-23(30)29(24(33)34-21)19-8-7-16(26)11-18(19)28/h2-11H,12H2,1H3/b21-9-
• InChIKey: QNMIAZBUYYHOJN-NKVSQWTQSA-N
• XLogP: 8.29
• TPSA: 38.77 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.33
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-3-(2,4-dichlorophenyl)-5-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 126338397) is (5Z)-3-(2,4-dichlorophenyl)-5-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-3-(2,4-dichlorophenyl)-5-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c1OCc1ccc(Cl)cc1Cl.

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

The InChIKey is QNMIAZBUYYHOJN-NKVSQWTQSA-N. The full InChI is InChI=1S/C24H15Cl4NO3S2/c1-31-20-4-2-3-13(22(20)32-12-14-5-6-15(25)10-17(14)27)9-21-23(30)29(24(33)34-21)19-8-7-16(26)11-18(19)28/h2-11H,12H2,1H3/b21-9-.

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

(5Z)-3-(2,4-dichlorophenyl)-5-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 571.33 g/mol, XLogP of 8.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-3-(2,4-dichlorophenyl)-5-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 126338397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).