About (5Z)-5-[[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3-fluoropiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione
(5Z)-5-[[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3-fluoropiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione (PubChem CID 157158097) has the molecular formula C133H153FN28O17S8
and a molecular weight of 2691.40 g/mol. Its IUPAC name is (5Z)-5-[[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3-fluoropiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione.
Frequently Asked Questions
What is the IUPAC name of (5Z)-5-[[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3-fluoropiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The IUPAC name of (5Z)-5-[[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3-fluoropiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione (CID 157158097) is (5Z)-5-[[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3-fluoropiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3-fluoropiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3-fluoropiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione is CC1CC(C)CN(c2nccc(/C=C3\SC(=O)CC3=O)n2)C1.CC1CCN(c2nccc(/C=C3\SC(=O)CC3=O)n2)CC1.CN(C)CC1CCN(c2nccc(/C=C3\SC(=O)CC3=O)n2)CC1.CN(C)CCC1CCN(c2nccc(/C=C3\SC(=O)CC3=O)n2)CC1.CN1CCC(CCc2nccc(/C=C3\SC(=O)NC3=O)n2)CC1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CO)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(c4c[nH]c5ccccc45)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCCC(F)C3)n2)S1.
What is the InChIKey of (5Z)-5-[[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3-fluoropiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The InChIKey is AMAXZXPPASUVJZ-RNIVSHFTSA-N. The full InChI is InChI=1S/C22H20N4O2S.C18H24N4O2S.C17H22N4O2S.C16H20N4O2S.C16H19N3O2S.C15H17N3O3S.C15H17N3O2S.C14H14FN3O2S/c27-19-12-21(28)29-20(19)11-15-5-8-23-22(25-15)26-9-6-14(7-10-26)17-13-24-18-4-2-1-3-16(17)18;1-21(2)8-4-13-5-9-22(10-6-13)18-19-7-3-14(20-18)11-16-15(23)12-17(24)25-16;1-20(2)11-12-4-7-21(8-5-12)17-18-6-3-13(19-17)9-15-14(22)10-16(23)24-15;1-20-8-5-11(6-9-20)2-3-14-17-7-4-12(18-14)10-13-15(21)19-16(22)23-13;1-10-5-11(2)9-19(8-10)16-17-4-3-12(18-16)6-14-13(20)7-15(21)22-14;19-9-10-2-5-18(6-3-10)15-16-4-1-11(17-15)7-13-12(20)8-14(21)22-13;1-10-3-6-18(7-4-10)15-16-5-2-11(17-15)8-13-12(19)9-14(20)21-13;15-9-2-1-5-18(8-9)14-16-4-3-10(17-14)6-12-11(19)7-13(20)21-12/h1-5,8,11,13-14,24H,6-7,9-10,12H2;3,7,11,13H,4-6,8-10,12H2,1-2H3;3,6,9,12H,4-5,7-8,10-11H2,1-2H3;4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,19,21,22);3-4,6,10-11H,5,7-9H2,1-2H3;1,4,7,10,19H,2-3,5-6,8-9H2;2,5,8,10H,3-4,6-7,9H2,1H3;3-4,6,9H,1-2,5,7-8H2/b20-11-;16-11-;15-9-;13-10-;14-6-;13-7-;13-8-;12-6-.
What are the key properties of (5Z)-5-[[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3-fluoropiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
(5Z)-5-[[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3-fluoropiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione has a molecular weight of 2691.40 g/mol, XLogP of 18.10, 25 rotatable bonds, 3 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3-fluoropiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(1H-indol-3-yl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione is sourced from PubChem (CID 157158097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).