About (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[3-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-[4-[(2-phenylethylamino)methyl]cyclohexyl]ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
(5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[3-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-[4-[(2-phenylethylamino)methyl]cyclohexyl]ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 159942702) has the molecular formula C161H168F3N17O14S8
and a molecular weight of 2878.75 g/mol. Its IUPAC name is (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[3-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-[4-[(2-phenylethylamino)methyl]cyclohexyl]ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
Frequently Asked Questions
What is the IUPAC name of (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[3-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-[4-[(2-phenylethylamino)methyl]cyclohexyl]ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[3-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-[4-[(2-phenylethylamino)methyl]cyclohexyl]ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 159942702) is (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[3-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-[4-[(2-phenylethylamino)methyl]cyclohexyl]ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[3-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-[4-[(2-phenylethylamino)methyl]cyclohexyl]ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[3-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-[4-[(2-phenylethylamino)methyl]cyclohexyl]ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1CC(=O)/C(=C/c2ccnc(CC3CCC(CCCCc4ccccc4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(CC3CCC(CCCc4ccc(F)cc4-c4ccco4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(CC3CCC(NCc4ccc(F)cc4-c4cccs4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(CC3CCC(NCc4ccc(F)cc4-c4ccsc4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(CC3CCC(NCc4cccc(-c5ccco5)c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(CCC3CCC(CNCCc4ccccc4)CC3)n2)S1.
What is the InChIKey of (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[3-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-[4-[(2-phenylethylamino)methyl]cyclohexyl]ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is OBBVDEMIBLLLLX-ZJQNAZOASA-N. The full InChI is InChI=1S/C29H29FN2O3S.2C27H26FN3O2S2.C27H27N3O3S.C26H30N2O2S.C25H30N4O2S/c30-22-11-10-21(24(16-22)26-5-2-14-35-26)4-1-3-19-6-8-20(9-7-19)15-28-31-13-12-23(32-28)17-27-25(33)18-29(34)36-27;28-20-4-3-18(23(12-20)19-8-10-34-16-19)15-30-21-5-1-17(2-6-21)11-26-29-9-7-22(31-26)13-25-24(32)14-27(33)35-25;28-19-6-5-18(22(13-19)24-2-1-11-34-24)16-30-20-7-3-17(4-8-20)12-26-29-10-9-21(31-26)14-25-23(32)15-27(33)35-25;31-23-16-27(32)34-25(23)15-22-10-11-28-26(30-22)14-18-6-8-21(9-7-18)29-17-19-3-1-4-20(13-19)24-5-2-12-33-24;29-23-18-26(30)31-24(23)17-22-14-15-27-25(28-22)16-21-12-10-20(11-13-21)9-5-4-8-19-6-2-1-3-7-19;30-24-22(32-25(31)29-24)16-21-13-15-27-23(28-21)11-10-19-6-8-20(9-7-19)17-26-14-12-18-4-2-1-3-5-18/h2,5,10-14,16-17,19-20H,1,3-4,6-9,15,18H2;3-4,7-10,12-13,16-17,21,30H,1-2,5-6,11,14-15H2;1-2,5-6,9-11,13-14,17,20,30H,3-4,7-8,12,15-16H2;1-5,10-13,15,18,21,29H,6-9,14,16-17H2;1-3,6-7,14-15,17,20-21H,4-5,8-13,16,18H2;1-5,13,15-16,19-20,26H,6-12,14,17H2,(H,29,30,31)/b27-17-;25-13-;25-14-;25-15-;24-17-;22-16-.
What are the key properties of (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[3-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-[4-[(2-phenylethylamino)methyl]cyclohexyl]ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[3-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-[4-[(2-phenylethylamino)methyl]cyclohexyl]ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 2878.75 g/mol, XLogP of 33.82, 46 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[[4-[3-[4-fluoro-2-(furan-2-yl)phenyl]propyl]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-thiophen-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[3-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-(4-phenylbutyl)cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-[4-[(2-phenylethylamino)methyl]cyclohexyl]ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 159942702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).