cyclopentyl [5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl carbonate

C26H30N2O6S — CID 91486890

About cyclopentyl [5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl carbonate

cyclopentyl [5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl carbonate (PubChem CID 91486890) has the molecular formula C26H30N2O6S and a molecular weight of 498.60 g/mol. Its IUPAC name is cyclopentyl [5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl carbonate.

Molecular Properties

• Compound Name: cyclopentyl [5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl carbonate
• PubChem CID: 91486890
• Molecular Formula: C26H30N2O6S
• Molecular Weight: 498.60 g/mol
• Exact Mass: 498.18
• IUPAC Name: cyclopentyl [5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl carbonate
• SMILES: CCc1ccc(CCOc2ccc(Cc3sc(=O)n(COC(=O)OC4CCCC4)c3O)cc2)nc1
• InChI: InChI=1S/C26H30N2O6S/c1-2-18-7-10-20(27-16-18)13-14-32-21-11-8-19(9-12-21)15-23-24(29)28(25(30)35-23)17-33-26(31)34-22-5-3-4-6-22/h7-12,16,22,29H,2-6,13-15,17H2,1H3
• InChIKey: RDIJDQBZEQSARZ-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 99.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.60
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of cyclopentyl [5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl carbonate (CID 91486890) is cyclopentyl [5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl carbonate.

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

The canonical SMILES for cyclopentyl [5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl carbonate is CCc1ccc(CCOc2ccc(Cc3sc(=O)n(COC(=O)OC4CCCC4)c3O)cc2)nc1.

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

The InChIKey is RDIJDQBZEQSARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6S/c1-2-18-7-10-20(27-16-18)13-14-32-21-11-8-19(9-12-21)15-23-24(29)28(25(30)35-23)17-33-26(31)34-22-5-3-4-6-22/h7-12,16,22,29H,2-6,13-15,17H2,1H3.

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

cyclopentyl [5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl carbonate has a molecular weight of 498.60 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl [5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4-hydroxy-2-oxo-1,3-thiazol-3-yl]methyl carbonate is sourced from PubChem (CID 91486890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).