5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 3-(5-ethyl-2-pyridinyl)-4-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]butanoate

C103H112N10O21S5 — CID 158863441

About 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 3-(5-ethyl-2-pyridinyl)-4-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]butanoate

5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 3-(5-ethyl-2-pyridinyl)-4-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]butanoate (PubChem CID 158863441) has the molecular formula C103H112N10O21S5 and a molecular weight of 1986.41 g/mol. Its IUPAC name is 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 3-(5-ethyl-2-pyridinyl)-4-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]butanoate.

Molecular Properties

• Compound Name: 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 3-(5-ethyl-2-pyridinyl)-4-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]butanoate
• PubChem CID: 158863441
• Molecular Formula: C103H112N10O21S5
• Molecular Weight: 1986.41 g/mol
• Exact Mass: 1984.66
• IUPAC Name: 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 3-(5-ethyl-2-pyridinyl)-4-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]butanoate
• SMILES: CCc1ccc(C(=O)COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(COc2ccc(CC3(C)SC(=O)NC3=O)cc2)CC(=O)OC)nc1.CCc1ccc(C(O)COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@@H](O)COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@H](O)COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1
• InChI: InChI=1S/C23H26N2O5S.3C20H22N2O4S.C20H20N2O4S/c1-4-15-7-10-19(24-13-15)17(11-20(26)29-3)14-30-18-8-5-16(6-9-18)12-23(2)21(27)25-22(28)31-23;4*1-3-13-6-9-16(21-11-13)17(23)12-26-15-7-4-14(5-8-15)10-20(2)18(24)22-19(25)27-20/h5-10,13,17H,4,11-12,14H2,1-3H3,(H,25,27,28);3*4-9,11,17,23H,3,10,12H2,1-2H3,(H,22,24,25);4-9,11H,3,10,12H2,1-2H3,(H,22,24,25)/t;2*17-,20?;;/m.10../s1
• InChIKey: JAXWIUBCUNCWDL-FHJAVSJRSA-N
• XLogP: 15.97
• TPSA: 445.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 37
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1986.41
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 3-(5-ethyl-2-pyridinyl)-4-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]butanoate?

The IUPAC name of 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 3-(5-ethyl-2-pyridinyl)-4-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]butanoate (CID 158863441) is 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 3-(5-ethyl-2-pyridinyl)-4-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]butanoate.

What is the SMILES notation for 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 3-(5-ethyl-2-pyridinyl)-4-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]butanoate?

The canonical SMILES for 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 3-(5-ethyl-2-pyridinyl)-4-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]butanoate is CCc1ccc(C(=O)COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(COc2ccc(CC3(C)SC(=O)NC3=O)cc2)CC(=O)OC)nc1.CCc1ccc(C(O)COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@@H](O)COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@H](O)COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.

What is the InChIKey of 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 3-(5-ethyl-2-pyridinyl)-4-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]butanoate?

The InChIKey is JAXWIUBCUNCWDL-FHJAVSJRSA-N. The full InChI is InChI=1S/C23H26N2O5S.3C20H22N2O4S.C20H20N2O4S/c1-4-15-7-10-19(24-13-15)17(11-20(26)29-3)14-30-18-8-5-16(6-9-18)12-23(2)21(27)25-22(28)31-23;4*1-3-13-6-9-16(21-11-13)17(23)12-26-15-7-4-14(5-8-15)10-20(2)18(24)22-19(25)27-20/h5-10,13,17H,4,11-12,14H2,1-3H3,(H,25,27,28);3*4-9,11,17,23H,3,10,12H2,1-2H3,(H,22,24,25);4-9,11H,3,10,12H2,1-2H3,(H,22,24,25)/t;2*17-,20?;;/m.10../s1.

What are the key properties of 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 3-(5-ethyl-2-pyridinyl)-4-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]butanoate?

5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 3-(5-ethyl-2-pyridinyl)-4-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]butanoate has a molecular weight of 1986.41 g/mol, XLogP of 15.97, 37 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 3-(5-ethyl-2-pyridinyl)-4-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]butanoate is sourced from PubChem (CID 158863441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).