2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide

C139H120F16N26O15S6 — CID 164993217

IUPAC2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1N)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cnc(N)c(-c2ccc3nc(N)sc3c2)c1)c1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1c(F)cccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cc(F)cc(F)c1OCC(C)C.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OC(C)C.Cc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C25H24F2N4O3S.C24H24N4O3S.C23H18F4N4O3S.C23H18F4N4O2S.2C22H18F3N5O2S/c1-13(2)12-34-22-16(6-17(26)9-19(22)27)11-29-23(32)18-7-15(10-30-24(18)33-3)14-4-5-20-21(8-14)35-25(28)31-20;1-14(2)31-20-7-5-4-6-16(20)12-26-22(29)18-10-17(13-27-23(18)30-3)15-8-9-19-21(11-15)32-24(25)28-19;1-11(19-15(24)4-3-5-17(19)34-23(25,26)27)30-20(32)14-8-13(10-29-21(14)33-2)12-6-7-16-18(9-12)35-22(28)31-16;1-11-17(7-14(10-29-11)13-3-6-19-20(8-13)34-22(28)31-19)21(32)30-12(2)16-9-15(4-5-18(16)24)33-23(25,26)27;1-11(14-4-2-3-5-17(14)32-22(23,24)25)29-20(31)13-8-15(19(26)28-10-13)12-6-7-16-18(9-12)33-21(27)30-16;1-11(14-4-2-3-5-17(14)32-22(23,24)25)29-20(31)15-8-13(10-28-19(15)26)12-6-7-16-18(9-12)33-21(27)30-16/h4-10,13H,11-12H2,1-3H3,(H2,28,31)(H,29,32);4-11,13-14H,12H2,1-3H3,(H2,25,28)(H,26,29);3-11H,1-2H3,(H2,28,31)(H,30,32);3-10,12H,1-2H3,(H2,28,31)(H,30,32);2*2-11H,1H3,(H2,26,28)(H2,27,30)(H,29,31)
InChIKeyHDWDOMVSJBJJTG-UHFFFAOYSA-N
MW2891.03 g/mol
LogP30.94
Rot. Bonds36

About 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide

2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 164993217) has the molecular formula C139H120F16N26O15S6 and a molecular weight of 2891.03 g/mol. Its IUPAC name is 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID164993217
Molecular FormulaC139H120F16N26O15S6
Molecular Weight2891.03 g/mol
Exact Mass2888.75
IUPAC Name2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1N)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cnc(N)c(-c2ccc3nc(N)sc3c2)c1)c1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1c(F)cccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cc(F)cc(F)c1OCC(C)C.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OC(C)C.Cc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C25H24F2N4O3S.C24H24N4O3S.C23H18F4N4O3S.C23H18F4N4O2S.2C22H18F3N5O2S/c1-13(2)12-34-22-16(6-17(26)9-19(22)27)11-29-23(32)18-7-15(10-30-24(18)33-3)14-4-5-20-21(8-14)35-25(28)31-20;1-14(2)31-20-7-5-4-6-16(20)12-26-22(29)18-10-17(13-27-23(18)30-3)15-8-9-19-21(11-15)32-24(25)28-19;1-11(19-15(24)4-3-5-17(19)34-23(25,26)27)30-20(32)14-8-13(10-29-21(14)33-2)12-6-7-16-18(9-12)35-22(28)31-16;1-11-17(7-14(10-29-11)13-3-6-19-20(8-13)34-22(28)31-19)21(32)30-12(2)16-9-15(4-5-18(16)24)33-23(25,26)27;1-11(14-4-2-3-5-17(14)32-22(23,24)25)29-20(31)13-8-15(19(26)28-10-13)12-6-7-16-18(9-12)33-21(27)30-16;1-11(14-4-2-3-5-17(14)32-22(23,24)25)29-20(31)15-8-13(10-28-19(15)26)12-6-7-16-18(9-12)33-21(27)30-16/h4-10,13H,11-12H2,1-3H3,(H2,28,31)(H,29,32);4-11,13-14H,12H2,1-3H3,(H2,25,28)(H,26,29);3-11H,1-2H3,(H2,28,31)(H,30,32);3-10,12H,1-2H3,(H2,28,31)(H,30,32);2*2-11H,1H3,(H2,26,28)(H2,27,30)(H,29,31)
InChIKeyHDWDOMVSJBJJTG-UHFFFAOYSA-N
XLogP30.94
TPSA620.51 Ų
H-Bond Donors14
H-Bond Acceptors41
Rotatable Bonds36
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002891.03
LogP ≤ 530.94
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1041

Analyze 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[[2-[3-[3-[1-[[6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carbonyl]amino]ethyl]-4-(trifluoromethoxy)phenyl]-2-methylpropoxy]-3,5-difluorophenyl]methyl]-5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxamide
CID 155153280
5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[3,5-difluoro-2-(2-methylpropoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide
CID 164786395
6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylic acid;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 6-amino-5-(2-amino-1,3-benzothiazol-6-yl)pyridine-3-carboxylate;methyl 6-amino-5-bromopyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 164947642
5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methylpyridine-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)benzonitrile;bis(1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine)
CID 164955391
5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-1-methylindazole-6-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylpyridin-2-one;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazol-6-yl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide
CID 164971931
5-(2-acetamido-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-[(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-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 164986989
5-(2-amino-1,3-benzothiazol-6-yl)-6-chloro-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]pyridine-3-carboxamide;[5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 164988643
5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate;[3-(trifluoromethoxy)phenyl]methanamine
CID 164993021
5-(2-amino-1,3-benzothiazol-6-yl)-6-methylpyridine-3-carboxylic acid;5-(2-amino-1,3-benzothiazol-6-yl)-6-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;methyl 5-(2-amino-1,3-benzothiazol-6-yl)-6-methylpyridine-3-carboxylate;methyl 5-bromo-6-methylpyridine-3-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 164999667
5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1R)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;acetyl chloride;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 165010411
5-(2-amino-1,3-benzothiazol-6-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;6-bromo-1,3-benzothiazol-2-amine;[2-fluoro-5-(trifluoromethoxy)phenyl]methanamine;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
CID 165013773
5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethanamine
CID 165016417

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide (CID 164993217) is 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide is CC(NC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1N)c1ccccc1OC(F)(F)F.CC(NC(=O)c1cnc(N)c(-c2ccc3nc(N)sc3c2)c1)c1ccccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1c(F)cccc1OC(F)(F)F.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1cc(F)cc(F)c1OCC(C)C.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NCc1ccccc1OC(C)C.Cc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)NC(C)c1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is HDWDOMVSJBJJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O3S.C24H24N4O3S.C23H18F4N4O3S.C23H18F4N4O2S.2C22H18F3N5O2S/c1-13(2)12-34-22-16(6-17(26)9-19(22)27)11-29-23(32)18-7-15(10-30-24(18)33-3)14-4-5-20-21(8-14)35-25(28)31-20;1-14(2)31-20-7-5-4-6-16(20)12-26-22(29)18-10-17(13-27-23(18)30-3)15-8-9-19-21(11-15)32-24(25)28-19;1-11(19-15(24)4-3-5-17(19)34-23(25,26)27)30-20(32)14-8-13(10-29-21(14)33-2)12-6-7-16-18(9-12)35-22(28)31-16;1-11-17(7-14(10-29-11)13-3-6-19-20(8-13)34-22(28)31-19)21(32)30-12(2)16-9-15(4-5-18(16)24)33-23(25,26)27;1-11(14-4-2-3-5-17(14)32-22(23,24)25)29-20(31)13-8-15(19(26)28-10-13)12-6-7-16-18(9-12)33-21(27)30-16;1-11(14-4-2-3-5-17(14)32-22(23,24)25)29-20(31)15-8-13(10-28-19(15)26)12-6-7-16-18(9-12)33-21(27)30-16/h4-10,13H,11-12H2,1-3H3,(H2,28,31)(H,29,32);4-11,13-14H,12H2,1-3H3,(H2,25,28)(H,26,29);3-11H,1-2H3,(H2,28,31)(H,30,32);3-10,12H,1-2H3,(H2,28,31)(H,30,32);2*2-11H,1H3,(H2,26,28)(H2,27,30)(H,29,31).
What are the key properties of 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide?
2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 2891.03 g/mol, XLogP of 30.94, 36 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;6-amino-5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[[3,5-difluoro-2-(2-methylpropoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-6-(trifluoromethoxy)phenyl]ethyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-2-methylpyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 164993217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).