(5Z)-5-[[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

C26H23NO4S2 — CID 6520050

About (5Z)-5-[[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6520050) has the molecular formula C26H23NO4S2 and a molecular weight of 477.61 g/mol. Its IUPAC name is (5Z)-5-[[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 6520050
• Molecular Formula: C26H23NO4S2
• Molecular Weight: 477.61 g/mol
• Exact Mass: 477.11
• IUPAC Name: (5Z)-5-[[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2cccc(OCCOCCOc3ccccc3)c2)SC(=S)N1c1ccccc1
• InChI: InChI=1S/C26H23NO4S2/c28-25-24(33-26(32)27(25)21-9-3-1-4-10-21)19-20-8-7-13-23(18-20)31-17-15-29-14-16-30-22-11-5-2-6-12-22/h1-13,18-19H,14-17H2/b24-19-
• InChIKey: XFGAHHMRPFWADP-CLCOLTQESA-N
• XLogP: 5.57
• TPSA: 48.00 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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)-5-[[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6520050) is (5Z)-5-[[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-[[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-[[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C/c2cccc(OCCOCCOc3ccccc3)c2)SC(=S)N1c1ccccc1.

What is the InChIKey of (5Z)-5-[[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?

The InChIKey is XFGAHHMRPFWADP-CLCOLTQESA-N. The full InChI is InChI=1S/C26H23NO4S2/c28-25-24(33-26(32)27(25)21-9-3-1-4-10-21)19-20-8-7-13-23(18-20)31-17-15-29-14-16-30-22-11-5-2-6-12-22/h1-13,18-19H,14-17H2/b24-19-.

What are the key properties of (5Z)-5-[[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one?

(5Z)-5-[[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 477.61 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6520050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).