3-ethyl-5-[(2Z)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)ethylidene]-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one

C33H27N3O2S4 — CID 129440570

About 3-ethyl-5-[(2Z)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)ethylidene]-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one

3-ethyl-5-[(2Z)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)ethylidene]-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one (PubChem CID 129440570) has the molecular formula C33H27N3O2S4 and a molecular weight of 625.87 g/mol. Its IUPAC name is 3-ethyl-5-[(2Z)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)ethylidene]-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 3-ethyl-5-[(2Z)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)ethylidene]-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one
• PubChem CID: 129440570
• Molecular Formula: C33H27N3O2S4
• Molecular Weight: 625.87 g/mol
• Exact Mass: 625.10
• IUPAC Name: 3-ethyl-5-[(2Z)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)ethylidene]-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one
• SMILES: CCN1C(c2ccccc2)=C(c2ccccc2)S/C1=C\C=c1sc(=C2SC(=S)N(c3ccccc3)C2=O)n(CC)c1=O
• InChI: InChI=1S/C33H27N3O2S4/c1-3-34-26(41-28(23-16-10-6-11-17-23)27(34)22-14-8-5-9-15-22)21-20-25-30(37)35(4-2)32(40-25)29-31(38)36(33(39)42-29)24-18-12-7-13-19-24/h5-21H,3-4H2,1-2H3/b25-20?,26-21-,32-29?
• InChIKey: UFYAZGJJTUADEG-YBGMZJQTSA-N
• XLogP: 6.32
• TPSA: 45.55 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.87
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(2Z)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)ethylidene]-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one?

The IUPAC name of 3-ethyl-5-[(2Z)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)ethylidene]-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one (CID 129440570) is 3-ethyl-5-[(2Z)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)ethylidene]-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one.

What is the SMILES notation for 3-ethyl-5-[(2Z)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)ethylidene]-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one?

The canonical SMILES for 3-ethyl-5-[(2Z)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)ethylidene]-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one is CCN1C(c2ccccc2)=C(c2ccccc2)S/C1=C\C=c1sc(=C2SC(=S)N(c3ccccc3)C2=O)n(CC)c1=O.

What is the InChIKey of 3-ethyl-5-[(2Z)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)ethylidene]-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one?

The InChIKey is UFYAZGJJTUADEG-YBGMZJQTSA-N. The full InChI is InChI=1S/C33H27N3O2S4/c1-3-34-26(41-28(23-16-10-6-11-17-23)27(34)22-14-8-5-9-15-22)21-20-25-30(37)35(4-2)32(40-25)29-31(38)36(33(39)42-29)24-18-12-7-13-19-24/h5-21H,3-4H2,1-2H3/b25-20?,26-21-,32-29?.

What are the key properties of 3-ethyl-5-[(2Z)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)ethylidene]-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one?

3-ethyl-5-[(2Z)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)ethylidene]-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one has a molecular weight of 625.87 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-5-[(2Z)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)ethylidene]-2-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 129440570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).