5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]-1,3-thiazolidine-2,4-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[7-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione
C160H139F7N16O26S8 — CID 158916357
Data last refreshed: (MolForge compound catalog, from PubChem)
About 5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]-1,3-thiazolidine-2,4-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[7-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione
5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]-1,3-thiazolidine-2,4-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[7-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 158916357) has the molecular formula C160H139F7N16O26S8 and a molecular weight of 3091.48 g/mol. Its IUPAC name is 5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]-1,3-thiazolidine-2,4-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[7-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione.
Molecular Properties
| Compound Name | 5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]-1,3-thiazolidine-2,4-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[7-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione |
|---|---|
| PubChem CID | 158916357 |
| Molecular Formula | C160H139F7N16O26S8 |
| Molecular Weight | 3091.48 g/mol |
| Exact Mass | 3088.77 |
| IUPAC Name | 5-[(2-benzyl-3,4-dihydro-2H-chromen-6-yl)methyl]-1,3-thiazolidine-2,4-dione;5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-1-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[7-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione |
| SMILES | CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.COc1ccc(CC2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1.COc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)[nH]c2c1.O=C1NC(=O)C(Cc2ccc3c(c2)CCC(Cc2ccccc2)O3)S1.O=C1NC(=O)C(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)S1.O=C1NC(=O)C(Cc2ccc3oc(Cc4cccc5ccccc45)nc3c2)S1.O=C1NC(=O)C(Cc2cnc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3c2)S1 |
| InChI | InChI=1S/C22H16N2O3S.C21H15F3N2O3S.C21H16FNO3S.C20H17F3N2O4S.C20H19NO3S.C19H17N3O4S.C19H20N2O3S.C18H19N3O3S/c25-21-19(28-22(26)24-21)11-13-8-9-18-17(10-13)23-20(27-18)12-15-6-3-5-14-4-1-2-7-16(14)15;22-21(23,24)15-4-1-12(2-5-15)11-29-16-6-3-14-7-13(10-25-17(14)9-16)8-18-19(27)26-20(28)30-18;22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19;1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23;22-19-18(25-20(23)21-19)12-14-6-9-17-15(10-14)7-8-16(24-17)11-13-4-2-1-3-5-13;1-25-13-6-7-14-15(9-13)21-17(20-14)10-26-12-4-2-11(3-5-12)8-16-18(23)22-19(24)27-16;1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17;1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h1-10,19H,11-12H2,(H,24,25,26);1-7,9-10,18H,8,11H2,(H,26,27,28);1-9,11,19H,10,12H2,(H,23,24,25);2-8,16H,9-10H2,1H3,(H,24,26)(H,25,27,28);1-6,9-10,16,18H,7-8,11-12H2,(H,21,22,23);2-7,9,16H,8,10H2,1H3,(H,20,21)(H,22,23,24);3-8,12,17H,2,9-11H2,1H3,(H,21,22,23);2-9,15H,10-12H2,1H3,(H,20,22,23) |
| InChIKey | JHGVDHRVAPBGPG-UHFFFAOYSA-N |
| XLogP | 29.39 |
| TPSA | 568.92 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 217 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3091.48 |
| LogP ≤ 5 | 29.39 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 40 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'thioester', 'substructure': 'N/A'} |
|---|
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Sources
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