5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl acetate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl butanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2,2-dimethylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 3-methylbutanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2-methylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl pentanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl propanoate

C235H264N20O48S10 — CID 158013870

IUPAC5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl acetate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl butanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2,2-dimethylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 3-methylbutanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2-methylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl pentanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl propanoate
SMILESCC(=O)OC(C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CC(=O)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CC(C)C(=O)OC(C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CC(C)CC(=O)OC(C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CC(O)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CC(OC(=O)C(C)(C)C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CC(OC(=O)c1ccccc1)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCC(=O)OC(C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCCC(=O)OC(C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCCCC(=O)OC(C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1
InChIInChI=1S/C27H26N2O5S.3C25H30N2O5S.2C24H28N2O5S.C23H26N2O5S.C22H24N2O5S.C20H22N2O4S.C20H20N2O4S/c1-18(34-24(30)20-6-4-3-5-7-20)21-10-11-22(28-17-21)14-15-33-23-12-8-19(9-13-23)16-27(2)25(31)29-26(32)35-27;1-16(32-22(29)24(2,3)4)18-8-9-19(26-15-18)12-13-31-20-10-6-17(7-11-20)14-25(5)21(28)27-23(30)33-25;1-16(2)13-22(28)32-17(3)19-7-8-20(26-15-19)11-12-31-21-9-5-18(6-10-21)14-25(4)23(29)27-24(30)33-25;1-4-5-6-22(28)32-17(2)19-9-10-20(26-16-19)13-14-31-21-11-7-18(8-12-21)15-25(3)23(29)27-24(30)33-25;1-15(2)21(27)31-16(3)18-7-8-19(25-14-18)11-12-30-20-9-5-17(6-10-20)13-24(4)22(28)26-23(29)32-24;1-4-5-21(27)31-16(2)18-8-9-19(25-15-18)12-13-30-20-10-6-17(7-11-20)14-24(3)22(28)26-23(29)32-24;1-4-20(26)30-15(2)17-7-8-18(24-14-17)11-12-29-19-9-5-16(6-10-19)13-23(3)21(27)25-22(28)31-23;1-14(29-15(2)25)17-6-7-18(23-13-17)10-11-28-19-8-4-16(5-9-19)12-22(3)20(26)24-21(27)30-22;2*1-13(23)15-5-6-16(21-12-15)9-10-26-17-7-3-14(4-8-17)11-20(2)18(24)22-19(25)27-20/h3-13,17-18H,14-16H2,1-2H3,(H,29,31,32);6-11,15-16H,12-14H2,1-5H3,(H,27,28,30);5-10,15-17H,11-14H2,1-4H3,(H,27,29,30);7-12,16-17H,4-6,13-15H2,1-3H3,(H,27,29,30);5-10,14-16H,11-13H2,1-4H3,(H,26,28,29);6-11,15-16H,4-5,12-14H2,1-3H3,(H,26,28,29);5-10,14-15H,4,11-13H2,1-3H3,(H,25,27,28);4-9,13-14H,10-12H2,1-3H3,(H,24,26,27);3-8,12-13,23H,9-11H2,1-2H3,(H,22,24,25);3-8,12H,9-11H2,1-2H3,(H,22,24,25)
InChIKeyFFFMFUYIRSEBCL-UHFFFAOYSA-N
MW4457.46 g/mol
LogP41.44
Rot. Bonds88

About 5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl acetate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl butanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2,2-dimethylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 3-methylbutanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2-methylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl pentanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl propanoate

5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl acetate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl butanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2,2-dimethylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 3-methylbutanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2-methylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl pentanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl propanoate (PubChem CID 158013870) has the molecular formula C235H264N20O48S10 and a molecular weight of 4457.46 g/mol. Its IUPAC name is 5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl acetate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl butanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2,2-dimethylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 3-methylbutanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2-methylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl pentanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl propanoate.

Molecular Properties

Compound Name5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl acetate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl butanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2,2-dimethylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 3-methylbutanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2-methylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl pentanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl propanoate
PubChem CID158013870
Molecular FormulaC235H264N20O48S10
Molecular Weight4457.46 g/mol
Exact Mass4453.60
IUPAC Name5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl acetate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl butanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2,2-dimethylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 3-methylbutanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2-methylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl pentanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl propanoate
SMILESCC(=O)OC(C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CC(=O)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CC(C)C(=O)OC(C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CC(C)CC(=O)OC(C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CC(O)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CC(OC(=O)C(C)(C)C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CC(OC(=O)c1ccccc1)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCC(=O)OC(C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCCC(=O)OC(C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCCCC(=O)OC(C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1
InChIInChI=1S/C27H26N2O5S.3C25H30N2O5S.2C24H28N2O5S.C23H26N2O5S.C22H24N2O5S.C20H22N2O4S.C20H20N2O4S/c1-18(34-24(30)20-6-4-3-5-7-20)21-10-11-22(28-17-21)14-15-33-23-12-8-19(9-13-23)16-27(2)25(31)29-26(32)35-27;1-16(32-22(29)24(2,3)4)18-8-9-19(26-15-18)12-13-31-20-10-6-17(7-11-20)14-25(5)21(28)27-23(30)33-25;1-16(2)13-22(28)32-17(3)19-7-8-20(26-15-19)11-12-31-21-9-5-18(6-10-21)14-25(4)23(29)27-24(30)33-25;1-4-5-6-22(28)32-17(2)19-9-10-20(26-16-19)13-14-31-21-11-7-18(8-12-21)15-25(3)23(29)27-24(30)33-25;1-15(2)21(27)31-16(3)18-7-8-19(25-14-18)11-12-30-20-9-5-17(6-10-20)13-24(4)22(28)26-23(29)32-24;1-4-5-21(27)31-16(2)18-8-9-19(25-15-18)12-13-30-20-10-6-17(7-11-20)14-24(3)22(28)26-23(29)32-24;1-4-20(26)30-15(2)17-7-8-18(24-14-17)11-12-29-19-9-5-16(6-10-19)13-23(3)21(27)25-22(28)31-23;1-14(29-15(2)25)17-6-7-18(23-13-17)10-11-28-19-8-4-16(5-9-19)12-22(3)20(26)24-21(27)30-22;2*1-13(23)15-5-6-16(21-12-15)9-10-26-17-7-3-14(4-8-17)11-20(2)18(24)22-19(25)27-20/h3-13,17-18H,14-16H2,1-2H3,(H,29,31,32);6-11,15-16H,12-14H2,1-5H3,(H,27,28,30);5-10,15-17H,11-14H2,1-4H3,(H,27,29,30);7-12,16-17H,4-6,13-15H2,1-3H3,(H,27,29,30);5-10,14-16H,11-13H2,1-4H3,(H,26,28,29);6-11,15-16H,4-5,12-14H2,1-3H3,(H,26,28,29);5-10,14-15H,4,11-13H2,1-3H3,(H,25,27,28);4-9,13-14H,10-12H2,1-3H3,(H,24,26,27);3-8,12-13,23H,9-11H2,1-2H3,(H,22,24,25);3-8,12H,9-11H2,1-2H3,(H,22,24,25)
InChIKeyFFFMFUYIRSEBCL-UHFFFAOYSA-N
XLogP41.44
TPSA930.60 Ų
H-Bond Donors11
H-Bond Acceptors68
Rotatable Bonds88
Heavy Atoms313
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004457.46
LogP ≤ 541.44
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1068

Analyze 5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl acetate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl butanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2,2-dimethylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 3-methylbutanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2-methylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl pentanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl acetate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl butanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2,2-dimethylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 3-methylbutanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2-methylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl pentanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl propanoate?
The IUPAC name of 5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl acetate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl butanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2,2-dimethylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 3-methylbutanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2-methylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl pentanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl propanoate (CID 158013870) is 5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl acetate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl butanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2,2-dimethylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 3-methylbutanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2-methylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl pentanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl propanoate.
What is the SMILES notation for 5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl acetate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl butanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2,2-dimethylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 3-methylbutanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2-methylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl pentanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl propanoate?
The canonical SMILES for 5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl acetate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl butanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2,2-dimethylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 3-methylbutanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2-methylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl pentanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl propanoate is CC(=O)OC(C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CC(=O)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CC(C)C(=O)OC(C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CC(C)CC(=O)OC(C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CC(O)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CC(OC(=O)C(C)(C)C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CC(OC(=O)c1ccccc1)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCC(=O)OC(C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCCC(=O)OC(C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.CCCCC(=O)OC(C)c1ccc(CCOc2ccc(CC3(C)SC(=O)NC3=O)cc2)nc1.
What is the InChIKey of 5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl acetate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl butanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2,2-dimethylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 3-methylbutanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2-methylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl pentanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl propanoate?
The InChIKey is FFFMFUYIRSEBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5S.3C25H30N2O5S.2C24H28N2O5S.C23H26N2O5S.C22H24N2O5S.C20H22N2O4S.C20H20N2O4S/c1-18(34-24(30)20-6-4-3-5-7-20)21-10-11-22(28-17-21)14-15-33-23-12-8-19(9-13-23)16-27(2)25(31)29-26(32)35-27;1-16(32-22(29)24(2,3)4)18-8-9-19(26-15-18)12-13-31-20-10-6-17(7-11-20)14-25(5)21(28)27-23(30)33-25;1-16(2)13-22(28)32-17(3)19-7-8-20(26-15-19)11-12-31-21-9-5-18(6-10-21)14-25(4)23(29)27-24(30)33-25;1-4-5-6-22(28)32-17(2)19-9-10-20(26-16-19)13-14-31-21-11-7-18(8-12-21)15-25(3)23(29)27-24(30)33-25;1-15(2)21(27)31-16(3)18-7-8-19(25-14-18)11-12-30-20-9-5-17(6-10-20)13-24(4)22(28)26-23(29)32-24;1-4-5-21(27)31-16(2)18-8-9-19(25-15-18)12-13-30-20-10-6-17(7-11-20)14-24(3)22(28)26-23(29)32-24;1-4-20(26)30-15(2)17-7-8-18(24-14-17)11-12-29-19-9-5-16(6-10-19)13-23(3)21(27)25-22(28)31-23;1-14(29-15(2)25)17-6-7-18(23-13-17)10-11-28-19-8-4-16(5-9-19)12-22(3)20(26)24-21(27)30-22;2*1-13(23)15-5-6-16(21-12-15)9-10-26-17-7-3-14(4-8-17)11-20(2)18(24)22-19(25)27-20/h3-13,17-18H,14-16H2,1-2H3,(H,29,31,32);6-11,15-16H,12-14H2,1-5H3,(H,27,28,30);5-10,15-17H,11-14H2,1-4H3,(H,27,29,30);7-12,16-17H,4-6,13-15H2,1-3H3,(H,27,29,30);5-10,14-16H,11-13H2,1-4H3,(H,26,28,29);6-11,15-16H,4-5,12-14H2,1-3H3,(H,26,28,29);5-10,14-15H,4,11-13H2,1-3H3,(H,25,27,28);4-9,13-14H,10-12H2,1-3H3,(H,24,26,27);3-8,12-13,23H,9-11H2,1-2H3,(H,22,24,25);3-8,12H,9-11H2,1-2H3,(H,22,24,25).
What are the key properties of 5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl acetate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl butanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2,2-dimethylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 3-methylbutanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2-methylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl pentanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl propanoate?
5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl acetate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl butanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2,2-dimethylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 3-methylbutanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2-methylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl pentanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl propanoate has a molecular weight of 4457.46 g/mol, XLogP of 41.44, 88 rotatable bonds, 11 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;5-[[4-[2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-5-methyl-1,3-thiazolidine-2,4-dione;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl acetate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl benzoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl butanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2,2-dimethylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 3-methylbutanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl 2-methylpropanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl pentanoate;1-[6-[2-[4-[(5-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-3-pyridinyl]ethyl propanoate is sourced from PubChem (CID 158013870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).