About 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;(5Z)-5-[[2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;N-[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]-N-ethylacetamide;(5Z)-5-[[2-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;(5Z)-5-[[2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;N-[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]-N-ethylacetamide;(5Z)-5-[[2-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 160809048) has the molecular formula C118H134N34O20S7
and a molecular weight of 2573.06 g/mol. Its IUPAC name is 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;(5Z)-5-[[2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;N-[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]-N-ethylacetamide;(5Z)-5-[[2-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
Frequently Asked Questions
What is the IUPAC name of 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;(5Z)-5-[[2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;N-[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]-N-ethylacetamide;(5Z)-5-[[2-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;(5Z)-5-[[2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;N-[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]-N-ethylacetamide;(5Z)-5-[[2-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 160809048) is 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;(5Z)-5-[[2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;N-[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]-N-ethylacetamide;(5Z)-5-[[2-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;(5Z)-5-[[2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;N-[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]-N-ethylacetamide;(5Z)-5-[[2-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;(5Z)-5-[[2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;N-[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]-N-ethylacetamide;(5Z)-5-[[2-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is CCN(C(C)=O)C1CCN(c2nccc(/C=C3\SC(=O)NC3=O)n2)C1.CN(C)C1CCN(c2nccc(/C=C3\SC(=O)NC3=O)n2)C1.CN1C(=O)SC(=Cc2ccnc(N3CCC(N)CC3)n2)C1=O.CN1C(=O)SC(=Cc2ccnc(N3CCCC(CCC(=O)OC(C)(C)C)C3)n2)C1=O.CN1CCC(N(C)c2nccc(/C=C3\SC(=O)NC3=O)n2)C1.O=C1NC(=O)/C(=C/c2ccnc(N3CC(=O)N(Cc4ccccc4)[C@@H](CO)C3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCN(C(=O)c4ccccc4)CC3)n2)S1.
What is the InChIKey of 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;(5Z)-5-[[2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;N-[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]-N-ethylacetamide;(5Z)-5-[[2-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is SEBQAWHZSYISSG-GMWZBSJLSA-N. The full InChI is InChI=1S/C21H28N4O4S.C20H19N5O4S.C19H17N5O3S.C16H19N5O3S.3C14H17N5O2S/c1-21(2,3)29-17(26)8-7-14-6-5-11-25(13-14)19-22-10-9-15(23-19)12-16-18(27)24(4)20(28)30-16;26-12-15-10-24(11-17(27)25(15)9-13-4-2-1-3-5-13)19-21-7-6-14(22-19)8-16-18(28)23-20(29)30-16;25-16-15(28-19(27)22-16)12-14-6-7-20-18(21-14)24-10-8-23(9-11-24)17(26)13-4-2-1-3-5-13;1-3-21(10(2)22)12-5-7-20(9-12)15-17-6-4-11(18-15)8-13-14(23)19-16(24)25-13;1-18-6-4-10(8-18)19(2)13-15-5-3-9(16-13)7-11-12(20)17-14(21)22-11;1-18(2)10-4-6-19(8-10)13-15-5-3-9(16-13)7-11-12(20)17-14(21)22-11;1-18-12(20)11(22-14(18)21)8-10-2-5-16-13(17-10)19-6-3-9(15)4-7-19/h9-10,12,14H,5-8,11,13H2,1-4H3;1-8,15,26H,9-12H2,(H,23,28,29);1-7,12H,8-11H2,(H,22,25,27);4,6,8,12H,3,5,7,9H2,1-2H3,(H,19,23,24);2*3,5,7,10H,4,6,8H2,1-2H3,(H,17,20,21);2,5,8-9H,3-4,6-7,15H2,1H3/b;16-8-;15-12-;13-8-;2*11-7-;/t;15-;;;;;/m.1...../s1.
What are the key properties of 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;(5Z)-5-[[2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;N-[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]-N-ethylacetamide;(5Z)-5-[[2-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;(5Z)-5-[[2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;N-[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]-N-ethylacetamide;(5Z)-5-[[2-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 2573.06 g/mol, XLogP of 10.45, 25 rotatable bonds, 7 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-aminopiperidin-1-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(4-benzoylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[(3R)-4-benzyl-3-(hydroxymethyl)-5-oxopiperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;tert-butyl 3-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-3-yl]propanoate;(5Z)-5-[[2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;N-[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]-N-ethylacetamide;(5Z)-5-[[2-[methyl-(1-methylpyrrolidin-3-yl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 160809048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).