About tert-butyl 4-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]-1,4-diazepane-1-carboxylate;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]acetate;5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
tert-butyl 4-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]-1,4-diazepane-1-carboxylate;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]acetate;5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 157431365) has the molecular formula C124H146N34O20S7
and a molecular weight of 2657.22 g/mol. Its IUPAC name is tert-butyl 4-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]-1,4-diazepane-1-carboxylate;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]acetate;5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 4-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]-1,4-diazepane-1-carboxylate;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]acetate;5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of tert-butyl 4-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]-1,4-diazepane-1-carboxylate;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]acetate;5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 157431365) is tert-butyl 4-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]-1,4-diazepane-1-carboxylate;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]acetate;5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for tert-butyl 4-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]-1,4-diazepane-1-carboxylate;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]acetate;5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for tert-butyl 4-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]-1,4-diazepane-1-carboxylate;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]acetate;5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is CN1C(=O)SC(=Cc2ccnc(N(C)CCc3ccccn3)n2)C1=O.CN1C(=O)SC(=Cc2ccnc(N3CCC(CC(=O)OC(C)(C)C)C3)n2)C1=O.CN1C(=O)SC(=Cc2ccnc(N3CCC(N4CCCC4)CC3)n2)C1=O.CN1C(=O)SC(=Cc2ccnc(N3CCCN(C(=O)OC(C)(C)C)CC3)n2)C1=O.CN1C(=O)SC(=Cc2ccnc(N3CCN(CC(=O)N4CCOCC4)CC3)n2)C1=O.CN1C(=O)SC(=Cc2ccnc(N3CCc4ccccc4C3)n2)C1=O.CN1CCN(c2nccc(C=C3SC(=O)N(C)C3=O)n2)CC1.
What is the InChIKey of tert-butyl 4-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]-1,4-diazepane-1-carboxylate;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]acetate;5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is BQOPJINRMQITBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4S.C19H25N5O4S.C19H24N4O4S.C18H23N5O2S.C18H16N4O2S.C17H17N5O2S.C14H17N5O2S/c1-22-17(27)15(30-19(22)28)12-14-2-3-20-18(21-14)25-6-4-23(5-7-25)13-16(26)24-8-10-29-11-9-24;1-19(2,3)28-17(26)24-9-5-8-23(10-11-24)16-20-7-6-13(21-16)12-14-15(25)22(4)18(27)29-14;1-19(2,3)27-15(24)9-12-6-8-23(11-12)17-20-7-5-13(21-17)10-14-16(25)22(4)18(26)28-14;1-21-16(24)15(26-18(21)25)12-13-4-7-19-17(20-13)23-10-5-14(6-11-23)22-8-2-3-9-22;1-21-16(23)15(25-18(21)24)10-14-6-8-19-17(20-14)22-9-7-12-4-2-3-5-13(12)11-22;1-21(10-7-12-5-3-4-8-18-12)16-19-9-6-13(20-16)11-14-15(23)22(2)17(24)25-14;1-17-5-7-19(8-6-17)13-15-4-3-10(16-13)9-11-12(20)18(2)14(21)22-11/h2-3,12H,4-11,13H2,1H3;6-7,12H,5,8-11H2,1-4H3;5,7,10,12H,6,8-9,11H2,1-4H3;4,7,12,14H,2-3,5-6,8-11H2,1H3;2-6,8,10H,7,9,11H2,1H3;3-6,8-9,11H,7,10H2,1-2H3;3-4,9H,5-8H2,1-2H3.
What are the key properties of tert-butyl 4-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]-1,4-diazepane-1-carboxylate;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]acetate;5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
tert-butyl 4-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]-1,4-diazepane-1-carboxylate;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]acetate;5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 2657.22 g/mol, XLogP of 13.44, 22 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]-1,4-diazepane-1-carboxylate;tert-butyl 2-[1-[4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]acetate;5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;3-methyl-5-[[2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 157431365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).