(5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

C219H243F2N37O22S11 — CID 162048524

IUPAC(5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOC(=O)c1cccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)c1.COc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1OC.Cc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1.Cc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1.Cc1cccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)c1F.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4ccc(F)cc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4cccnc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCc4cccc(-c5cccs5)c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCc4cccc(-c5ccsc5)c4)CC3)n2)S1
InChIInChI=1S/2C26H26N4O2S2.C25H30N4O4S.C25H28N4O4S.C24H27FN4O2S.2C24H28N4O2S.C23H25FN4O2S.C22H25N5O2S/c31-25-23(34-26(32)30-25)15-21-10-11-27-24(29-21)14-17-6-8-20(9-7-17)28-16-18-3-1-4-19(13-18)22-5-2-12-33-22;31-25-23(34-26(32)30-25)14-22-8-10-27-24(29-22)13-17-4-6-21(7-5-17)28-15-18-2-1-3-19(12-18)20-9-11-33-16-20;1-32-20-8-5-17(13-21(20)33-2)9-11-26-18-6-3-16(4-7-18)14-23-27-12-10-19(28-23)15-22-24(30)29-25(31)34-22;1-33-24(31)18-4-2-3-16(13-18)9-11-26-19-7-5-17(6-8-19)14-22-27-12-10-20(28-22)15-21-23(30)29-25(32)34-21;1-15-3-2-4-17(22(15)25)9-11-26-18-7-5-16(6-8-18)13-21-27-12-10-19(28-21)14-20-23(30)29-24(31)32-20;2*1-16-2-4-17(5-3-16)10-12-25-19-8-6-18(7-9-19)14-22-26-13-11-20(27-22)15-21-23(29)28-24(30)31-21;24-17-5-1-15(2-6-17)9-11-25-18-7-3-16(4-8-18)13-21-26-12-10-19(27-21)14-20-22(29)28-23(30)31-20;28-21-19(30-22(29)27-21)13-18-8-11-25-20(26-18)12-15-3-5-17(6-4-15)24-10-7-16-2-1-9-23-14-16/h1-5,10-13,15,17,20,28H,6-9,14,16H2,(H,30,31,32);1-3,8-12,14,16-17,21,28H,4-7,13,15H2,(H,30,31,32);5,8,10,12-13,15-16,18,26H,3-4,6-7,9,11,14H2,1-2H3,(H,29,30,31);2-4,10,12-13,15,17,19,26H,5-9,11,14H2,1H3,(H,29,30,32);2-4,10,12,14,16,18,26H,5-9,11,13H2,1H3,(H,29,30,31);2*2-5,11,13,15,18-19,25H,6-10,12,14H2,1H3,(H,28,29,30);1-2,5-6,10,12,14,16,18,25H,3-4,7-9,11,13H2,(H,28,29,30);1-2,8-9,11,13-15,17,24H,3-7,10,12H2,(H,27,28,29)/b23-15-;23-14-;22-15-;21-15-;20-14-;2*21-15-;20-14-;19-13-
InChIKeyYYFTUQNDWJOXOV-ZIUFBLRVSA-N
MW4136.32 g/mol
LogP37.38
Rot. Bonds66

About (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 162048524) has the molecular formula C219H243F2N37O22S11 and a molecular weight of 4136.32 g/mol. Its IUPAC name is (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID162048524
Molecular FormulaC219H243F2N37O22S11
Molecular Weight4136.32 g/mol
Exact Mass4132.59
IUPAC Name(5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOC(=O)c1cccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)c1.COc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1OC.Cc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1.Cc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1.Cc1cccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)c1F.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4ccc(F)cc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4cccnc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCc4cccc(-c5cccs5)c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCc4cccc(-c5ccsc5)c4)CC3)n2)S1
InChIInChI=1S/2C26H26N4O2S2.C25H30N4O4S.C25H28N4O4S.C24H27FN4O2S.2C24H28N4O2S.C23H25FN4O2S.C22H25N5O2S/c31-25-23(34-26(32)30-25)15-21-10-11-27-24(29-21)14-17-6-8-20(9-7-17)28-16-18-3-1-4-19(13-18)22-5-2-12-33-22;31-25-23(34-26(32)30-25)14-22-8-10-27-24(29-22)13-17-4-6-21(7-5-17)28-15-18-2-1-3-19(12-18)20-9-11-33-16-20;1-32-20-8-5-17(13-21(20)33-2)9-11-26-18-6-3-16(4-7-18)14-23-27-12-10-19(28-23)15-22-24(30)29-25(31)34-22;1-33-24(31)18-4-2-3-16(13-18)9-11-26-19-7-5-17(6-8-19)14-22-27-12-10-20(28-22)15-21-23(30)29-25(32)34-21;1-15-3-2-4-17(22(15)25)9-11-26-18-7-5-16(6-8-18)13-21-27-12-10-19(28-21)14-20-23(30)29-24(31)32-20;2*1-16-2-4-17(5-3-16)10-12-25-19-8-6-18(7-9-19)14-22-26-13-11-20(27-22)15-21-23(29)28-24(30)31-21;24-17-5-1-15(2-6-17)9-11-25-18-7-3-16(4-8-18)13-21-26-12-10-19(27-21)14-20-22(29)28-23(30)31-20;28-21-19(30-22(29)27-21)13-18-8-11-25-20(26-18)12-15-3-5-17(6-4-15)24-10-7-16-2-1-9-23-14-16/h1-5,10-13,15,17,20,28H,6-9,14,16H2,(H,30,31,32);1-3,8-12,14,16-17,21,28H,4-7,13,15H2,(H,30,31,32);5,8,10,12-13,15-16,18,26H,3-4,6-7,9,11,14H2,1-2H3,(H,29,30,31);2-4,10,12-13,15,17,19,26H,5-9,11,14H2,1H3,(H,29,30,32);2-4,10,12,14,16,18,26H,5-9,11,13H2,1H3,(H,29,30,31);2*2-5,11,13,15,18-19,25H,6-10,12,14H2,1H3,(H,28,29,30);1-2,5-6,10,12,14,16,18,25H,3-4,7-9,11,13H2,(H,28,29,30);1-2,8-9,11,13-15,17,24H,3-7,10,12H2,(H,27,28,29)/b23-15-;23-14-;22-15-;21-15-;20-14-;2*21-15-;20-14-;19-13-
InChIKeyYYFTUQNDWJOXOV-ZIUFBLRVSA-N
XLogP37.38
TPSA813.47 Ų
H-Bond Donors18
H-Bond Acceptors61
Rotatable Bonds66
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004136.32
LogP ≤ 537.38
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1061

Analyze (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 162048524) is (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is COC(=O)c1cccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)c1.COc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1OC.Cc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1.Cc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1.Cc1cccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)c1F.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4ccc(F)cc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4cccnc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCc4cccc(-c5cccs5)c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCc4cccc(-c5ccsc5)c4)CC3)n2)S1.
What is the InChIKey of (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is YYFTUQNDWJOXOV-ZIUFBLRVSA-N. The full InChI is InChI=1S/2C26H26N4O2S2.C25H30N4O4S.C25H28N4O4S.C24H27FN4O2S.2C24H28N4O2S.C23H25FN4O2S.C22H25N5O2S/c31-25-23(34-26(32)30-25)15-21-10-11-27-24(29-21)14-17-6-8-20(9-7-17)28-16-18-3-1-4-19(13-18)22-5-2-12-33-22;31-25-23(34-26(32)30-25)14-22-8-10-27-24(29-22)13-17-4-6-21(7-5-17)28-15-18-2-1-3-19(12-18)20-9-11-33-16-20;1-32-20-8-5-17(13-21(20)33-2)9-11-26-18-6-3-16(4-7-18)14-23-27-12-10-19(28-23)15-22-24(30)29-25(31)34-22;1-33-24(31)18-4-2-3-16(13-18)9-11-26-19-7-5-17(6-8-19)14-22-27-12-10-20(28-22)15-21-23(30)29-25(32)34-21;1-15-3-2-4-17(22(15)25)9-11-26-18-7-5-16(6-8-18)13-21-27-12-10-19(28-21)14-20-23(30)29-24(31)32-20;2*1-16-2-4-17(5-3-16)10-12-25-19-8-6-18(7-9-19)14-22-26-13-11-20(27-22)15-21-23(29)28-24(30)31-21;24-17-5-1-15(2-6-17)9-11-25-18-7-3-16(4-8-18)13-21-26-12-10-19(27-21)14-20-22(29)28-23(30)31-20;28-21-19(30-22(29)27-21)13-18-8-11-25-20(26-18)12-15-3-5-17(6-4-15)24-10-7-16-2-1-9-23-14-16/h1-5,10-13,15,17,20,28H,6-9,14,16H2,(H,30,31,32);1-3,8-12,14,16-17,21,28H,4-7,13,15H2,(H,30,31,32);5,8,10,12-13,15-16,18,26H,3-4,6-7,9,11,14H2,1-2H3,(H,29,30,31);2-4,10,12-13,15,17,19,26H,5-9,11,14H2,1H3,(H,29,30,32);2-4,10,12,14,16,18,26H,5-9,11,13H2,1H3,(H,29,30,31);2*2-5,11,13,15,18-19,25H,6-10,12,14H2,1H3,(H,28,29,30);1-2,5-6,10,12,14,16,18,25H,3-4,7-9,11,13H2,(H,28,29,30);1-2,8-9,11,13-15,17,24H,3-7,10,12H2,(H,27,28,29)/b23-15-;23-14-;22-15-;21-15-;20-14-;2*21-15-;20-14-;19-13-.
What are the key properties of (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 4136.32 g/mol, XLogP of 37.38, 66 rotatable bonds, 18 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(2-fluoro-3-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;methyl 3-[2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]methyl]cyclohexyl]amino]ethyl]benzoate;bis((5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione);(5Z)-5-[[2-[[4-(2-pyridin-3-ylethylamino)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 162048524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).