(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-[3-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

C211H227F8N29O18S8 — CID 158408618

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-[3-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]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-[3-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 158408618) has the molecular formula C211H227F8N29O18S8 and a molecular weight of 3865.84 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-[3-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]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-[3-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
• PubChem CID: 158408618
• Molecular Formula: C211H227F8N29O18S8
• Molecular Weight: 3865.84 g/mol
• Exact Mass: 3862.54
• 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-[3-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
• SMILES: COc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1OC.Cc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1.Cc1cccc(-c2ccccc2CCCC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)c1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccc(F)cc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4cccc(-c5ccccc5)c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccccc4-c4cccnc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4ccc(C(F)(F)F)cc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4cccc(C(F)(F)F)c4F)CC3)n2)S1
• InChI: InChI=1S/C31H33N3O2S.C30H31N3O2S.C29H30N4O2S.C25H30N4O4S.C24H24F4N4O2S.C24H25F3N4O2S.C24H26FN3O2S.C24H28N4O2S/c1-21-6-4-10-25(18-21)27-11-3-2-8-24(27)9-5-7-22-12-14-23(15-13-22)19-29-32-17-16-26(33-29)20-28-30(35)34-31(36)37-28;34-29-27(36-30(35)33-29)20-26-16-17-31-28(32-26)19-23-14-12-21(13-15-23)6-4-7-22-8-5-11-25(18-22)24-9-2-1-3-10-24;34-28-26(36-29(35)33-28)18-24-14-16-31-27(32-24)17-21-12-10-20(11-13-21)5-3-7-22-6-1-2-9-25(22)23-8-4-15-30-19-23;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;25-21-15(2-1-3-18(21)24(26,27)28)8-10-29-16-6-4-14(5-7-16)12-20-30-11-9-17(31-20)13-19-22(33)32-23(34)35-19;25-24(26,27)17-5-1-15(2-6-17)9-11-28-18-7-3-16(4-8-18)13-21-29-12-10-19(30-21)14-20-22(32)31-23(33)34-20;25-19-10-8-17(9-11-19)3-1-2-16-4-6-18(7-5-16)14-22-26-13-12-20(27-22)15-21-23(29)28-24(30)31-21;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/h2-4,6,8,10-11,16-18,20,22-23H,5,7,9,12-15,19H2,1H3,(H,34,35,36);1-3,5,8-11,16-18,20-21,23H,4,6-7,12-15,19H2,(H,33,34,35);1-2,4,6,8-9,14-16,18-21H,3,5,7,10-13,17H2,(H,33,34,35);5,8,10,12-13,15-16,18,26H,3-4,6-7,9,11,14H2,1-2H3,(H,29,30,31);1-3,9,11,13-14,16,29H,4-8,10,12H2,(H,32,33,34);1-2,5-6,10,12,14,16,18,28H,3-4,7-9,11,13H2,(H,31,32,33);8-13,15-16,18H,1-7,14H2,(H,28,29,30);2-5,11,13,15,18-19,25H,6-10,12,14H2,1H3,(H,28,29,30)/b28-20-;27-20-;26-18-;22-15-;19-13-;20-14-;2*21-15-
• InChIKey: GZAAGOJPUOPYKU-YXBMPFPWSA-N
• XLogP: 42.97
• TPSA: 655.07 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 47
• Rotatable Bonds: 61
• Heavy Atoms: 274
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3865.84
LogP ≤ 5	42.97
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	47

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 (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-[3-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]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-[3-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 158408618) 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-[3-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]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-[3-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]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-[3-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is COc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1OC.Cc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1.Cc1cccc(-c2ccccc2CCCC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)c1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccc(F)cc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4cccc(-c5ccccc5)c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccccc4-c4cccnc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4ccc(C(F)(F)F)cc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4cccc(C(F)(F)F)c4F)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-[3-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?

The InChIKey is GZAAGOJPUOPYKU-YXBMPFPWSA-N. The full InChI is InChI=1S/C31H33N3O2S.C30H31N3O2S.C29H30N4O2S.C25H30N4O4S.C24H24F4N4O2S.C24H25F3N4O2S.C24H26FN3O2S.C24H28N4O2S/c1-21-6-4-10-25(18-21)27-11-3-2-8-24(27)9-5-7-22-12-14-23(15-13-22)19-29-32-17-16-26(33-29)20-28-30(35)34-31(36)37-28;34-29-27(36-30(35)33-29)20-26-16-17-31-28(32-26)19-23-14-12-21(13-15-23)6-4-7-22-8-5-11-25(18-22)24-9-2-1-3-10-24;34-28-26(36-29(35)33-28)18-24-14-16-31-27(32-24)17-21-12-10-20(11-13-21)5-3-7-22-6-1-2-9-25(22)23-8-4-15-30-19-23;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;25-21-15(2-1-3-18(21)24(26,27)28)8-10-29-16-6-4-14(5-7-16)12-20-30-11-9-17(31-20)13-19-22(33)32-23(34)35-19;25-24(26,27)17-5-1-15(2-6-17)9-11-28-18-7-3-16(4-8-18)13-21-29-12-10-19(30-21)14-20-22(32)31-23(33)34-20;25-19-10-8-17(9-11-19)3-1-2-16-4-6-18(7-5-16)14-22-26-13-12-20(27-22)15-21-23(29)28-24(30)31-21;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/h2-4,6,8,10-11,16-18,20,22-23H,5,7,9,12-15,19H2,1H3,(H,34,35,36);1-3,5,8-11,16-18,20-21,23H,4,6-7,12-15,19H2,(H,33,34,35);1-2,4,6,8-9,14-16,18-21H,3,5,7,10-13,17H2,(H,33,34,35);5,8,10,12-13,15-16,18,26H,3-4,6-7,9,11,14H2,1-2H3,(H,29,30,31);1-3,9,11,13-14,16,29H,4-8,10,12H2,(H,32,33,34);1-2,5-6,10,12,14,16,18,28H,3-4,7-9,11,13H2,(H,31,32,33);8-13,15-16,18H,1-7,14H2,(H,28,29,30);2-5,11,13,15,18-19,25H,6-10,12,14H2,1H3,(H,28,29,30)/b28-20-;27-20-;26-18-;22-15-;19-13-;20-14-;2*21-15-.

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-[3-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]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-[3-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 3865.84 g/mol, XLogP of 42.97, 61 rotatable bonds, 12 hydrogen bond donors, and 47 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-[3-(4-fluorophenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-(4-methylphenyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-[2-(3-methylphenyl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(3-phenylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[3-(2-pyridin-3-ylphenyl)propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 158408618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).