5-[[4-[2-(5-ethyl-2-pyridinyl)-4-hydroxybut-2-enoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;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-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)butanoate;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)but-2-enoate

C125H132N12O26S6 — CID 159508861

About 5-[[4-[2-(5-ethyl-2-pyridinyl)-4-hydroxybut-2-enoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;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-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)butanoate;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)but-2-enoate

5-[[4-[2-(5-ethyl-2-pyridinyl)-4-hydroxybut-2-enoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;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-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)butanoate;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)but-2-enoate (PubChem CID 159508861) has the molecular formula C125H132N12O26S6 and a molecular weight of 2410.89 g/mol. Its IUPAC name is 5-[[4-[2-(5-ethyl-2-pyridinyl)-4-hydroxybut-2-enoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;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-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)butanoate;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)but-2-enoate.

Molecular Properties

• Compound Name: 5-[[4-[2-(5-ethyl-2-pyridinyl)-4-hydroxybut-2-enoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;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-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)butanoate;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)but-2-enoate
• PubChem CID: 159508861
• Molecular Formula: C125H132N12O26S6
• Molecular Weight: 2410.89 g/mol
• Exact Mass: 2408.77
• IUPAC Name: 5-[[4-[2-(5-ethyl-2-pyridinyl)-4-hydroxybut-2-enoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;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-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)butanoate;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)but-2-enoate
• SMILES: CCc1ccc(C(=CC(=O)OC)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(=CCO)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(=O)COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(COc2ccc(CC3SC(=O)NC3=O)cc2)CC(=O)OC)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/C22H24N2O5S.C22H22N2O5S.C21H22N2O4S.2C20H22N2O4S.C20H20N2O4S/c2*1-3-14-6-9-18(23-12-14)16(11-20(25)28-2)13-29-17-7-4-15(5-8-17)10-19-21(26)24-22(27)30-19;1-2-14-5-8-18(22-12-14)16(9-10-24)13-27-17-6-3-15(4-7-17)11-19-20(25)23-21(26)28-19;3*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/h4-9,12,16,19H,3,10-11,13H2,1-2H3,(H,24,26,27);4-9,11-12,19H,3,10,13H2,1-2H3,(H,24,26,27);3-9,12,19,24H,2,10-11,13H2,1H3,(H,23,25,26);2*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: MAIPQIFYAORNDA-JMHDMADRSA-N
• XLogP: 18.70
• TPSA: 540.10 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 46
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2410.89
LogP ≤ 5	18.70
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 5-[[4-[2-(5-ethyl-2-pyridinyl)-4-hydroxybut-2-enoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;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-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)butanoate;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)but-2-enoate (CID 159508861) is 5-[[4-[2-(5-ethyl-2-pyridinyl)-4-hydroxybut-2-enoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;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-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)butanoate;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)but-2-enoate.

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

The canonical SMILES for 5-[[4-[2-(5-ethyl-2-pyridinyl)-4-hydroxybut-2-enoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;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-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)butanoate;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)but-2-enoate is CCc1ccc(C(=CC(=O)OC)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(=CCO)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(=O)COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(COc2ccc(CC3SC(=O)NC3=O)cc2)CC(=O)OC)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-[2-(5-ethyl-2-pyridinyl)-4-hydroxybut-2-enoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;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-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)butanoate;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)but-2-enoate?

The InChIKey is MAIPQIFYAORNDA-JMHDMADRSA-N. The full InChI is InChI=1S/C22H24N2O5S.C22H22N2O5S.C21H22N2O4S.2C20H22N2O4S.C20H20N2O4S/c2*1-3-14-6-9-18(23-12-14)16(11-20(25)28-2)13-29-17-7-4-15(5-8-17)10-19-21(26)24-22(27)30-19;1-2-14-5-8-18(22-12-14)16(9-10-24)13-27-17-6-3-15(4-7-17)11-19-20(25)23-21(26)28-19;3*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/h4-9,12,16,19H,3,10-11,13H2,1-2H3,(H,24,26,27);4-9,11-12,19H,3,10,13H2,1-2H3,(H,24,26,27);3-9,12,19,24H,2,10-11,13H2,1H3,(H,23,25,26);2*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-[2-(5-ethyl-2-pyridinyl)-4-hydroxybut-2-enoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;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-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)butanoate;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)but-2-enoate?

5-[[4-[2-(5-ethyl-2-pyridinyl)-4-hydroxybut-2-enoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;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-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)butanoate;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)but-2-enoate has a molecular weight of 2410.89 g/mol, XLogP of 18.70, 46 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[2-(5-ethyl-2-pyridinyl)-4-hydroxybut-2-enoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;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-oxoethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)butanoate;methyl 4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)but-2-enoate is sourced from PubChem (CID 159508861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).