5-[[4-[2-[5-[[5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl]-2-pyridinyl]-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione

C38H38N4O8S2 — CID 123532026

About 5-[[4-[2-[5-[[5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl]-2-pyridinyl]-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione

5-[[4-[2-[5-[[5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl]-2-pyridinyl]-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 123532026) has the molecular formula C38H38N4O8S2 and a molecular weight of 742.88 g/mol. Its IUPAC name is 5-[[4-[2-[5-[[5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl]-2-pyridinyl]-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[[4-[2-[5-[[5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl]-2-pyridinyl]-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione
• PubChem CID: 123532026
• Molecular Formula: C38H38N4O8S2
• Molecular Weight: 742.88 g/mol
• Exact Mass: 742.21
• IUPAC Name: 5-[[4-[2-[5-[[5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl]-2-pyridinyl]-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione
• SMILES: CCc1ccc(C(O)COc2ccc(Cc3sc(=O)n(Cc4ccc(C(O)COc5ccc(CC6(C)SC(=O)NC6=O)cc5)nc4)c3O)cc2)nc1
• InChI: InChI=1S/C38H38N4O8S2/c1-3-23-8-14-29(39-18-23)31(43)21-49-27-10-4-24(5-11-27)16-33-34(45)42(37(48)51-33)20-26-9-15-30(40-19-26)32(44)22-50-28-12-6-25(7-13-28)17-38(2)35(46)41-36(47)52-38/h4-15,18-19,31-32,43-45H,3,16-17,20-22H2,1-2H3,(H,41,46,47)
• InChIKey: YTQSXUPDCBUPOL-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 173.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	742.88
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-[5-[[5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl]-2-pyridinyl]-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione?

The IUPAC name of 5-[[4-[2-[5-[[5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl]-2-pyridinyl]-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione (CID 123532026) is 5-[[4-[2-[5-[[5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl]-2-pyridinyl]-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for 5-[[4-[2-[5-[[5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl]-2-pyridinyl]-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione?

The canonical SMILES for 5-[[4-[2-[5-[[5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl]-2-pyridinyl]-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione is CCc1ccc(C(O)COc2ccc(Cc3sc(=O)n(Cc4ccc(C(O)COc5ccc(CC6(C)SC(=O)NC6=O)cc5)nc4)c3O)cc2)nc1.

What is the InChIKey of 5-[[4-[2-[5-[[5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl]-2-pyridinyl]-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione?

The InChIKey is YTQSXUPDCBUPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N4O8S2/c1-3-23-8-14-29(39-18-23)31(43)21-49-27-10-4-24(5-11-27)16-33-34(45)42(37(48)51-33)20-26-9-15-30(40-19-26)32(44)22-50-28-12-6-25(7-13-28)17-38(2)35(46)41-36(47)52-38/h4-15,18-19,31-32,43-45H,3,16-17,20-22H2,1-2H3,(H,41,46,47).

What are the key properties of 5-[[4-[2-[5-[[5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl]-2-pyridinyl]-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione?

5-[[4-[2-[5-[[5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl]-2-pyridinyl]-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 742.88 g/mol, XLogP of 5.12, 15 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[2-[5-[[5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl]-2-pyridinyl]-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 123532026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).