tris(5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]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-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C137H146N14O25S7 — CID 158092812

About tris(5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]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-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

tris(5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]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-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 158092812) has the molecular formula C137H146N14O25S7 and a molecular weight of 2613.22 g/mol. Its IUPAC name is tris(5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]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-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: tris(5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]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-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 158092812
• Molecular Formula: C137H146N14O25S7
• Molecular Weight: 2613.22 g/mol
• Exact Mass: 2610.86
• IUPAC Name: tris(5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]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-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• SMILES: CCc1ccc(C(=O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(O)COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@@H](O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@H](O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1
• InChI: InChI=1S/C20H22N2O4S.3C20H22N2O3S.2C19H20N2O4S.C19H18N2O4S/c1-3-13-6-9-16(21-11-13)17(23)12-26-15-7-4-14(5-8-15)10-20(2)18(24)22-19(25)27-20;3*1-3-14-4-7-16(21-13-14)10-11-25-17-8-5-15(6-9-17)12-20(2)18(23)22-19(24)26-20;3*1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h4-9,11,17,23H,3,10,12H2,1-2H3,(H,22,24,25);3*4-9,13H,3,10-12H2,1-2H3,(H,22,23,24);2*3-8,10,16-17,22H,2,9,11H2,1H3,(H,21,23,24);3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)/t;;;;2*16-,17?;/m....10./s1
• InChIKey: FOHSUOFUZGIREX-DAXCVAOSSA-N
• XLogP: 21.79
• TPSA: 555.79 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 49
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2613.22
LogP ≤ 5	21.79
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of tris(5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]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-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 158092812) is tris(5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]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-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

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

The canonical SMILES for tris(5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]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-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CCc1ccc(C(=O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1.CCc1ccc(C(O)COc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@@H](O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1.CCc1ccc([C@H](O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1.

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

The InChIKey is FOHSUOFUZGIREX-DAXCVAOSSA-N. The full InChI is InChI=1S/C20H22N2O4S.3C20H22N2O3S.2C19H20N2O4S.C19H18N2O4S/c1-3-13-6-9-16(21-11-13)17(23)12-26-15-7-4-14(5-8-15)10-20(2)18(24)22-19(25)27-20;3*1-3-14-4-7-16(21-13-14)10-11-25-17-8-5-15(6-9-17)12-20(2)18(23)22-19(24)26-20;3*1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h4-9,11,17,23H,3,10,12H2,1-2H3,(H,22,24,25);3*4-9,13H,3,10-12H2,1-2H3,(H,22,23,24);2*3-8,10,16-17,22H,2,9,11H2,1H3,(H,21,23,24);3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)/t;;;;2*16-,17?;/m....10./s1.

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

tris(5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]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-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 2613.22 g/mol, XLogP of 21.79, 49 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for tris(5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]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-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 158092812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).