(5S)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

C24H19Cl2NO3S — CID 126156293

About (5S)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

(5S)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 126156293) has the molecular formula C24H19Cl2NO3S and a molecular weight of 472.39 g/mol. Its IUPAC name is (5S)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 126156293
• Molecular Formula: C24H19Cl2NO3S
• Molecular Weight: 472.39 g/mol
• Exact Mass: 471.05
• IUPAC Name: (5S)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
• SMILES: O=C1S[C@@H](Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccc(Cl)cc1
• InChI: InChI=1S/C24H19Cl2NO3S/c25-19-7-1-17(2-8-19)14-27-23(28)22(31-24(27)29)13-16-5-11-21(12-6-16)30-15-18-3-9-20(26)10-4-18/h1-12,22H,13-15H2/t22-/m0/s1
• InChIKey: YBBBIPLHJORXMX-QFIPXVFZSA-N
• XLogP: 6.38
• TPSA: 46.61 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.39
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5S)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 126156293) is (5S)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione is O=C1S[C@@H](Cc2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccc(Cl)cc1.

What is the InChIKey of (5S)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione?

The InChIKey is YBBBIPLHJORXMX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H19Cl2NO3S/c25-19-7-1-17(2-8-19)14-27-23(28)22(31-24(27)29)13-16-5-11-21(12-6-16)30-15-18-3-9-20(26)10-4-18/h1-12,22H,13-15H2/t22-/m0/s1.

What are the key properties of (5S)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione?

(5S)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 472.39 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126156293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).