5-[[4-[(2R)-2-[3-[5-[[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazolidin-3-yl]-2-methoxyphenyl]-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C37H35ClN2O9S2 — CID 130308088

About 5-[[4-[(2R)-2-[3-[5-[[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazolidin-3-yl]-2-methoxyphenyl]-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[(2R)-2-[3-[5-[[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazolidin-3-yl]-2-methoxyphenyl]-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 130308088) has the molecular formula C37H35ClN2O9S2 and a molecular weight of 751.28 g/mol. Its IUPAC name is 5-[[4-[(2R)-2-[3-[5-[[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazolidin-3-yl]-2-methoxyphenyl]-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[[4-[(2R)-2-[3-[5-[[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazolidin-3-yl]-2-methoxyphenyl]-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 130308088
• Molecular Formula: C37H35ClN2O9S2
• Molecular Weight: 751.28 g/mol
• Exact Mass: 750.15
• IUPAC Name: 5-[[4-[(2R)-2-[3-[5-[[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazolidin-3-yl]-2-methoxyphenyl]-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• SMILES: COc1c([C@@H](O)COc2ccc(CC3SC(=O)NC3=O)cc2)cccc1N1C(=O)SC(Cc2ccc(OC[C@H](O)c3cccc(Cl)c3)cc2)C1O
• InChI: InChI=1S/C37H35ClN2O9S2/c1-47-33-27(30(42)20-49-26-12-8-21(9-13-26)16-31-34(43)39-36(45)50-31)6-3-7-28(33)40-35(44)32(51-37(40)46)17-22-10-14-25(15-11-22)48-19-29(41)23-4-2-5-24(38)18-23/h2-15,18,29-32,35,41-42,44H,16-17,19-20H2,1H3,(H,39,43,45)/t29-,30-,31?,32?,35?/m0/s1
• InChIKey: PSLALMQDGGPBAC-YBDQBQOWSA-N
• XLogP: 6.07
• TPSA: 154.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	751.28
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2R)-2-[3-[5-[[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazolidin-3-yl]-2-methoxyphenyl]-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The IUPAC name of 5-[[4-[(2R)-2-[3-[5-[[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazolidin-3-yl]-2-methoxyphenyl]-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 130308088) is 5-[[4-[(2R)-2-[3-[5-[[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazolidin-3-yl]-2-methoxyphenyl]-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for 5-[[4-[(2R)-2-[3-[5-[[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazolidin-3-yl]-2-methoxyphenyl]-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for 5-[[4-[(2R)-2-[3-[5-[[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazolidin-3-yl]-2-methoxyphenyl]-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is COc1c([C@@H](O)COc2ccc(CC3SC(=O)NC3=O)cc2)cccc1N1C(=O)SC(Cc2ccc(OC[C@H](O)c3cccc(Cl)c3)cc2)C1O.

What is the InChIKey of 5-[[4-[(2R)-2-[3-[5-[[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazolidin-3-yl]-2-methoxyphenyl]-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The InChIKey is PSLALMQDGGPBAC-YBDQBQOWSA-N. The full InChI is InChI=1S/C37H35ClN2O9S2/c1-47-33-27(30(42)20-49-26-12-8-21(9-13-26)16-31-34(43)39-36(45)50-31)6-3-7-28(33)40-35(44)32(51-37(40)46)17-22-10-14-25(15-11-22)48-19-29(41)23-4-2-5-24(38)18-23/h2-15,18,29-32,35,41-42,44H,16-17,19-20H2,1H3,(H,39,43,45)/t29-,30-,31?,32?,35?/m0/s1.

What are the key properties of 5-[[4-[(2R)-2-[3-[5-[[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazolidin-3-yl]-2-methoxyphenyl]-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

5-[[4-[(2R)-2-[3-[5-[[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazolidin-3-yl]-2-methoxyphenyl]-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 751.28 g/mol, XLogP of 6.07, 14 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[(2R)-2-[3-[5-[[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazolidin-3-yl]-2-methoxyphenyl]-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 130308088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).