About 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine
5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 165068870) has the molecular formula C147H145B3Br2F12N24O25S7
and a molecular weight of 3292.61 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine.
Frequently Asked Questions
What is the IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine (CID 165068870) is 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine is CC(N)c1ccccc1OC(F)(F)F.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3nc(N)sc3c2)OC1(C)C.COC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1OC.COC(=O)c1cc(Br)cnc1OC.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N[C@@H](C)c1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)N[C@H](C)c1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)O.Nc1nc2ccc(Br)cc2s1.
What is the InChIKey of 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is SKNZFDOCFTVTSH-QFKTZRBKSA-N. The full InChI is InChI=1S/3C23H19F3N4O3S.C15H13N3O3S.C14H11N3O3S.C13H17BN2O2S.C12H24B2O4.C9H10F3NO.C8H8BrNO3.C7H5BrN2S/c3*1-12(15-5-3-4-6-18(15)33-23(24,25)26)29-20(31)16-9-14(11-28-21(16)32-2)13-7-8-17-19(10-13)34-22(27)30-17;1-20-13-10(14(19)21-2)5-9(7-17-13)8-3-4-11-12(6-8)22-15(16)18-11;1-20-12-9(13(18)19)4-8(6-16-12)7-2-3-10-11(5-7)21-14(15)17-10;1-12(2)13(3,4)18-14(17-12)8-5-6-9-10(7-8)19-11(15)16-9;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6(13)7-4-2-3-5-8(7)14-9(10,11)12;1-12-7-6(8(11)13-2)3-5(9)4-10-7;8-4-1-2-5-6(3-4)11-7(9)10-5/h3*3-12H,1-2H3,(H2,27,30)(H,29,31);3-7H,1-2H3,(H2,16,18);2-6H,1H3,(H2,15,17)(H,18,19);5-7H,1-4H3,(H2,15,16);1-8H3;2-6H,13H2,1H3;3-4H,1-2H3;1-3H,(H2,9,10)/t2*12-;;;;;;;;/m10......../s1.
What are the key properties of 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine?
5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 3292.61 g/mol, XLogP of 32.71, 30 rotatable bonds, 12 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-bromo-1,3-benzothiazol-2-amine;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;methyl 5-bromo-2-methoxypyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1-[2-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 165068870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).