About bis(tert-butyl 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylate);tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-5-cyclobutyloxy-6-[2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;(2S)-5-cyclobutyloxy-6-[2-(4-hydroxypiperidin-4-yl)-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;2,4-dibromo-1,3-thiazole;methyl (2S)-6-bromo-5-cyclobutyloxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate;methyl (2S)-5-cyclobutyloxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
bis(tert-butyl 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylate);tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-5-cyclobutyloxy-6-[2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;(2S)-5-cyclobutyloxy-6-[2-(4-hydroxypiperidin-4-yl)-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;2,4-dibromo-1,3-thiazole;methyl (2S)-6-bromo-5-cyclobutyloxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate;methyl (2S)-5-cyclobutyloxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158366875) has the molecular formula C140H198B3Br5N14O31S5
and a molecular weight of 3165.48 g/mol. Its IUPAC name is bis(tert-butyl 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylate);tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-5-cyclobutyloxy-6-[2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;(2S)-5-cyclobutyloxy-6-[2-(4-hydroxypiperidin-4-yl)-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;2,4-dibromo-1,3-thiazole;methyl (2S)-6-bromo-5-cyclobutyloxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate;methyl (2S)-5-cyclobutyloxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
Frequently Asked Questions
What is the IUPAC name of bis(tert-butyl 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylate);tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-5-cyclobutyloxy-6-[2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;(2S)-5-cyclobutyloxy-6-[2-(4-hydroxypiperidin-4-yl)-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;2,4-dibromo-1,3-thiazole;methyl (2S)-6-bromo-5-cyclobutyloxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate;methyl (2S)-5-cyclobutyloxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of bis(tert-butyl 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylate);tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-5-cyclobutyloxy-6-[2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;(2S)-5-cyclobutyloxy-6-[2-(4-hydroxypiperidin-4-yl)-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;2,4-dibromo-1,3-thiazole;methyl (2S)-6-bromo-5-cyclobutyloxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate;methyl (2S)-5-cyclobutyloxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158366875) is bis(tert-butyl 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylate);tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-5-cyclobutyloxy-6-[2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;(2S)-5-cyclobutyloxy-6-[2-(4-hydroxypiperidin-4-yl)-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;2,4-dibromo-1,3-thiazole;methyl (2S)-6-bromo-5-cyclobutyloxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate;methyl (2S)-5-cyclobutyloxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for bis(tert-butyl 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylate);tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-5-cyclobutyloxy-6-[2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;(2S)-5-cyclobutyloxy-6-[2-(4-hydroxypiperidin-4-yl)-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;2,4-dibromo-1,3-thiazole;methyl (2S)-6-bromo-5-cyclobutyloxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate;methyl (2S)-5-cyclobutyloxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for bis(tert-butyl 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylate);tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-5-cyclobutyloxy-6-[2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;(2S)-5-cyclobutyloxy-6-[2-(4-hydroxypiperidin-4-yl)-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;2,4-dibromo-1,3-thiazole;methyl (2S)-6-bromo-5-cyclobutyloxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate;methyl (2S)-5-cyclobutyloxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1csc(Br)n1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(O)(c2nc(Br)cs2)CC1.CC(C)(C)OC(=O)N1CCC(O)(c2nc(Br)cs2)CC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COC(=O)N1c2ccc(B3OC(C)(C)C(C)(C)O3)c(OC3CCC3)c2CC[C@@H]1C.COC(=O)N1c2ccc(Br)c(OC3CCC3)c2CC[C@@H]1C.C[C@H]1CCc2c(ccc(-c3csc(C4(O)CCN(C(=O)OC(C)(C)C)CC4)n3)c2OC2CCC2)N1C(=O)O.C[C@H]1CCc2c(ccc(-c3csc(C4(O)CCNCC4)n3)c2OC2CCC2)N1C(=O)O.
What is the InChIKey of bis(tert-butyl 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylate);tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-5-cyclobutyloxy-6-[2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;(2S)-5-cyclobutyloxy-6-[2-(4-hydroxypiperidin-4-yl)-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;2,4-dibromo-1,3-thiazole;methyl (2S)-6-bromo-5-cyclobutyloxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate;methyl (2S)-5-cyclobutyloxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is GUDGDEYCUZGZJA-WJZZHDQQSA-N. The full InChI is InChI=1S/C28H37N3O6S.C23H29N3O4S.C22H32BNO5.C16H20BrNO3.2C13H19BrN2O3S.C12H24B2O4.C10H17NO3.C3HBr2NS/c1-17-8-9-20-22(31(17)25(32)33)11-10-19(23(20)36-18-6-5-7-18)21-16-38-24(29-21)28(35)12-14-30(15-13-28)26(34)37-27(2,3)4;1-14-5-6-17-19(26(14)22(27)28)8-7-16(20(17)30-15-3-2-4-15)18-13-31-21(25-18)23(29)9-11-24-12-10-23;1-14-10-11-16-18(24(14)20(25)26-6)13-12-17(19(16)27-15-8-7-9-15)23-28-21(2,3)22(4,5)29-23;1-10-6-7-12-14(18(10)16(19)20-2)9-8-13(17)15(12)21-11-4-3-5-11;2*1-12(2,3)19-11(17)16-6-4-13(18,5-7-16)10-15-9(14)8-20-10;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;4-2-1-7-3(5)6-2/h10-11,16-18,35H,5-9,12-15H2,1-4H3,(H,32,33);7-8,13-15,24,29H,2-6,9-12H2,1H3,(H,27,28);12-15H,7-11H2,1-6H3;8-11H,3-7H2,1-2H3;2*8,18H,4-7H2,1-3H3;1-8H3;4-7H2,1-3H3;1H/t17-;2*14-;10-;;;;;/m0000...../s1.
What are the key properties of bis(tert-butyl 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylate);tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-5-cyclobutyloxy-6-[2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;(2S)-5-cyclobutyloxy-6-[2-(4-hydroxypiperidin-4-yl)-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;2,4-dibromo-1,3-thiazole;methyl (2S)-6-bromo-5-cyclobutyloxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate;methyl (2S)-5-cyclobutyloxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
bis(tert-butyl 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylate);tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-5-cyclobutyloxy-6-[2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;(2S)-5-cyclobutyloxy-6-[2-(4-hydroxypiperidin-4-yl)-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;2,4-dibromo-1,3-thiazole;methyl (2S)-6-bromo-5-cyclobutyloxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate;methyl (2S)-5-cyclobutyloxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3165.48 g/mol, XLogP of 30.77, 16 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl 4-(4-bromo-1,3-thiazol-2-yl)-4-hydroxypiperidine-1-carboxylate);tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-5-cyclobutyloxy-6-[2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;(2S)-5-cyclobutyloxy-6-[2-(4-hydroxypiperidin-4-yl)-1,3-thiazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid;2,4-dibromo-1,3-thiazole;methyl (2S)-6-bromo-5-cyclobutyloxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate;methyl (2S)-5-cyclobutyloxy-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158366875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).