(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-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;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-[4-(trifluoromethoxy)phenyl]ethylamino]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

C145H160F10N24O15S6 — CID 160928859

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-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;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-[4-(trifluoromethoxy)phenyl]ethylamino]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-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;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-[4-(trifluoromethoxy)phenyl]ethylamino]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 160928859) has the molecular formula C145H160F10N24O15S6 and a molecular weight of 2861.41 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-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;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-[4-(trifluoromethoxy)phenyl]ethylamino]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-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;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-[4-(trifluoromethoxy)phenyl]ethylamino]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: 160928859
• Molecular Formula: C145H160F10N24O15S6
• Molecular Weight: 2861.41 g/mol
• Exact Mass: 2859.07
• 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-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;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-[4-(trifluoromethoxy)phenyl]ethylamino]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.Cc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4ccc(C(F)(F)F)cc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4ccc(OC(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/C25H30N4O4S.C24H24F4N4O2S.C24H25F3N4O3S.C24H25F3N4O2S.2C24H28N4O2S/c1-32-20-8-5-17(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)34-19-7-3-15(4-8-19)9-11-28-17-5-1-16(2-6-17)13-21-29-12-10-18(30-21)14-20-22(32)31-23(33)35-20;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;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/h5,8,10,12-13,15-16,18,26H,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);3-4,7-8,10,12,14,16-17,28H,1-2,5-6,9,11,13H2,(H,31,32,33);1-2,5-6,10,12,14,16,18,28H,3-4,7-9,11,13H2,(H,31,32,33);2*2-5,11,13,15,18-19,25H,6-10,12,14H2,1H3,(H,28,29,30)/b22-15-;19-13-;2*20-14-;2*21-15-
• InChIKey: SSZMMAZTHRLMLT-AXFWQOIDSA-N
• XLogP: 26.11
• TPSA: 531.57 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 39
• Rotatable Bonds: 45
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2861.41
LogP ≤ 5	26.11
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	39

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-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;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-[4-(trifluoromethoxy)phenyl]ethylamino]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-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;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-[4-(trifluoromethoxy)phenyl]ethylamino]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 160928859) 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-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;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-[4-(trifluoromethoxy)phenyl]ethylamino]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-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;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-[4-(trifluoromethoxy)phenyl]ethylamino]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-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;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-[4-(trifluoromethoxy)phenyl]ethylamino]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.Cc1ccc(CCNC2CCC(Cc3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)cc1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4ccc(C(F)(F)F)cc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CC3CCC(NCCc4ccc(OC(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-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;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-[4-(trifluoromethoxy)phenyl]ethylamino]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 SSZMMAZTHRLMLT-AXFWQOIDSA-N. The full InChI is InChI=1S/C25H30N4O4S.C24H24F4N4O2S.C24H25F3N4O3S.C24H25F3N4O2S.2C24H28N4O2S/c1-32-20-8-5-17(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)34-19-7-3-15(4-8-19)9-11-28-17-5-1-16(2-6-17)13-21-29-12-10-18(30-21)14-20-22(32)31-23(33)35-20;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;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/h5,8,10,12-13,15-16,18,26H,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);3-4,7-8,10,12,14,16-17,28H,1-2,5-6,9,11,13H2,(H,31,32,33);1-2,5-6,10,12,14,16,18,28H,3-4,7-9,11,13H2,(H,31,32,33);2*2-5,11,13,15,18-19,25H,6-10,12,14H2,1H3,(H,28,29,30)/b22-15-;19-13-;2*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-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;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-[4-(trifluoromethoxy)phenyl]ethylamino]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-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;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-[4-(trifluoromethoxy)phenyl]ethylamino]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 2861.41 g/mol, XLogP of 26.11, 45 rotatable bonds, 12 hydrogen bond donors, and 39 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-(trifluoromethyl)phenyl]ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;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-[4-(trifluoromethoxy)phenyl]ethylamino]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 160928859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).