(5R)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C26H24FNO2S2 — CID 126153870

About (5R)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5R)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 126153870) has the molecular formula C26H24FNO2S2 and a molecular weight of 465.62 g/mol. Its IUPAC name is (5R)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5R)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 126153870
• Molecular Formula: C26H24FNO2S2
• Molecular Weight: 465.62 g/mol
• Exact Mass: 465.12
• IUPAC Name: (5R)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: O=C1[C@@H](Cc2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1CCCc1ccccc1
• InChI: InChI=1S/C26H24FNO2S2/c27-22-12-8-21(9-13-22)18-30-23-14-10-20(11-15-23)17-24-25(29)28(26(31)32-24)16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,24H,4,7,16-18H2/t24-/m1/s1
• InChIKey: YVDIMBGXVKWUOO-XMMPIXPASA-N
• XLogP: 5.81
• TPSA: 29.54 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.62
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of (5R)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 126153870) is (5R)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

What is the SMILES notation for (5R)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one?

The canonical SMILES for (5R)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1[C@@H](Cc2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1CCCc1ccccc1.

What is the InChIKey of (5R)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one?

The InChIKey is YVDIMBGXVKWUOO-XMMPIXPASA-N. The full InChI is InChI=1S/C26H24FNO2S2/c27-22-12-8-21(9-13-22)18-30-23-14-10-20(11-15-23)17-24-25(29)28(26(31)32-24)16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,24H,4,7,16-18H2/t24-/m1/s1.

What are the key properties of (5R)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one?

(5R)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 465.62 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 126153870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).