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

C27H23NO3S2 — CID 6524303

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

(5Z)-3-phenyl-5-[[2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6524303) has the molecular formula C27H23NO3S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is (5Z)-3-phenyl-5-[[2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-3-phenyl-5-[[2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 6524303
• Molecular Formula: C27H23NO3S2
• Molecular Weight: 473.62 g/mol
• Exact Mass: 473.11
• IUPAC Name: (5Z)-3-phenyl-5-[[2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: C=CCc1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O
• InChI: InChI=1S/C27H23NO3S2/c1-2-10-20-11-6-8-15-23(20)30-17-18-31-24-16-9-7-12-21(24)19-25-26(29)28(27(32)33-25)22-13-4-3-5-14-22/h2-9,11-16,19H,1,10,17-18H2/b25-19-
• InChIKey: DXUATOCRFDTFBK-PLRJNAJWSA-N
• XLogP: 6.28
• TPSA: 38.77 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.62
LogP ≤ 5	6.28
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-phenyl-5-[[2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-3-phenyl-5-[[2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6524303) is (5Z)-3-phenyl-5-[[2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-3-phenyl-5-[[2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is C=CCc1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O.

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

The InChIKey is DXUATOCRFDTFBK-PLRJNAJWSA-N. The full InChI is InChI=1S/C27H23NO3S2/c1-2-10-20-11-6-8-15-23(20)30-17-18-31-24-16-9-7-12-21(24)19-25-26(29)28(27(32)33-25)22-13-4-3-5-14-22/h2-9,11-16,19H,1,10,17-18H2/b25-19-.

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

(5Z)-3-phenyl-5-[[2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 473.62 g/mol, XLogP of 6.28, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-3-phenyl-5-[[2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6524303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).