About 4-[[1-[5-bromo-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]butan-1-ol;(2S)-3-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;4-[(E)-5,5-dimethyl-4-methylidenehept-2-en-2-yl]-2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazole;4-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;5-piperazin-1-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;7-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]heptan-1-ol;(2R,3S)-2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrrolidin-3-ol
4-[[1-[5-bromo-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]butan-1-ol;(2S)-3-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;4-[(E)-5,5-dimethyl-4-methylidenehept-2-en-2-yl]-2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazole;4-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;5-piperazin-1-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;7-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]heptan-1-ol;(2R,3S)-2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrrolidin-3-ol (PubChem CID 157452803) has the molecular formula C177H265BrN22O9S6
and a molecular weight of 3117.52 g/mol. Its IUPAC name is 4-[[1-[5-bromo-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]butan-1-ol;(2S)-3-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;4-[(E)-5,5-dimethyl-4-methylidenehept-2-en-2-yl]-2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazole;4-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;5-piperazin-1-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;7-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]heptan-1-ol;(2R,3S)-2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrrolidin-3-ol.
Frequently Asked Questions
What is the IUPAC name of 4-[[1-[5-bromo-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]butan-1-ol;(2S)-3-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;4-[(E)-5,5-dimethyl-4-methylidenehept-2-en-2-yl]-2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazole;4-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;5-piperazin-1-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;7-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]heptan-1-ol;(2R,3S)-2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[1-[5-bromo-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]butan-1-ol;(2S)-3-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;4-[(E)-5,5-dimethyl-4-methylidenehept-2-en-2-yl]-2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazole;4-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;5-piperazin-1-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;7-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]heptan-1-ol;(2R,3S)-2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrrolidin-3-ol (CID 157452803) is 4-[[1-[5-bromo-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]butan-1-ol;(2S)-3-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;4-[(E)-5,5-dimethyl-4-methylidenehept-2-en-2-yl]-2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazole;4-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;5-piperazin-1-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;7-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]heptan-1-ol;(2R,3S)-2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[1-[5-bromo-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]butan-1-ol;(2S)-3-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;4-[(E)-5,5-dimethyl-4-methylidenehept-2-en-2-yl]-2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazole;4-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;5-piperazin-1-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;7-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]heptan-1-ol;(2R,3S)-2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[1-[5-bromo-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]butan-1-ol;(2S)-3-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;4-[(E)-5,5-dimethyl-4-methylidenehept-2-en-2-yl]-2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazole;4-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;5-piperazin-1-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;7-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]heptan-1-ol;(2R,3S)-2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrrolidin-3-ol is C=C(/C=C(\C)c1csc(N2CCN(C3CCNCC3)CC2)n1)C(C)(C)CC.CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(CCCCCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(C[C@H]5NCC[C@@H]5O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(N(CCO)CCCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3nc(N4CCC(N(CCO)CCCCO)CC4)sc3Br)ccc21.CC1(C)CCC(C)(C)c2cc(-c3noc(N4CCNCC4)n3)ccc21.CC1(C)CCCc2cc(-c3csc(N4CCC(NC[C@H](O)CO)CC4)n3)ccc21.
What is the InChIKey of 4-[[1-[5-bromo-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]butan-1-ol;(2S)-3-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;4-[(E)-5,5-dimethyl-4-methylidenehept-2-en-2-yl]-2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazole;4-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;5-piperazin-1-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;7-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]heptan-1-ol;(2R,3S)-2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrrolidin-3-ol?
The InChIKey is BSZMDSAWZNQABN-AJTMQGAASA-N. The full InChI is InChI=1S/C29H44N2OS.C28H42BrN3O2S.C28H43N3O2S.C27H39N3OS.C23H33N3O2S.C22H36N4S.C20H28N4O/c1-28(2)14-15-29(3,4)25-20-23(10-11-24(25)28)26-21-33-27(30-26)22-12-17-31(18-13-22)16-8-6-5-7-9-19-32;1-27(2)11-12-28(3,4)23-19-20(7-8-22(23)27)24-25(29)35-26(30-24)32-14-9-21(10-15-32)31(16-18-34)13-5-6-17-33;1-27(2)11-12-28(3,4)24-19-21(7-8-23(24)27)25-20-34-26(29-25)31-14-9-22(10-15-31)30(16-18-33)13-5-6-17-32;1-26(2)10-11-27(3,4)21-15-19(5-6-20(21)26)23-17-32-25(29-23)18-8-13-30(14-9-18)16-22-24(31)7-12-28-22;1-23(2)9-3-4-16-12-17(5-6-20(16)23)21-15-29-22(25-21)26-10-7-18(8-11-26)24-13-19(28)14-27;1-6-22(4,5)18(3)15-17(2)20-16-27-21(24-20)26-13-11-25(12-14-26)19-7-9-23-10-8-19;1-19(2)7-8-20(3,4)16-13-14(5-6-15(16)19)17-22-18(25-23-17)24-11-9-21-10-12-24/h10-11,20-22,32H,5-9,12-19H2,1-4H3;7-8,19,21,33-34H,5-6,9-18H2,1-4H3;7-8,19-20,22,32-33H,5-6,9-18H2,1-4H3;5-6,15,17-18,22,24,28,31H,7-14,16H2,1-4H3;5-6,12,15,18-19,24,27-28H,3-4,7-11,13-14H2,1-2H3;15-16,19,23H,3,6-14H2,1-2,4-5H3;5-6,13,21H,7-12H2,1-4H3/b;;;;;17-15+;/t;;;22-,24+;19-;;/m...10../s1.
What are the key properties of 4-[[1-[5-bromo-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]butan-1-ol;(2S)-3-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;4-[(E)-5,5-dimethyl-4-methylidenehept-2-en-2-yl]-2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazole;4-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;5-piperazin-1-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;7-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]heptan-1-ol;(2R,3S)-2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrrolidin-3-ol?
4-[[1-[5-bromo-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]butan-1-ol;(2S)-3-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;4-[(E)-5,5-dimethyl-4-methylidenehept-2-en-2-yl]-2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazole;4-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;5-piperazin-1-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;7-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]heptan-1-ol;(2R,3S)-2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrrolidin-3-ol has a molecular weight of 3117.52 g/mol, XLogP of 34.74, 45 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[5-bromo-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]-(2-hydroxyethyl)amino]butan-1-ol;(2S)-3-[[1-[4-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol;4-[(E)-5,5-dimethyl-4-methylidenehept-2-en-2-yl]-2-(4-piperidin-4-ylpiperazin-1-yl)-1,3-thiazole;4-[2-hydroxyethyl-[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]butan-1-ol;5-piperazin-1-yl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2,4-oxadiazole;7-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]heptan-1-ol;(2R,3S)-2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 157452803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).