About N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;N-[2-[(4aR,6S,8aR)-2-benzamido-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid;heptadeca-1,3,5,7,9,11,13,15-octayne;methane;O-methylhydroxylamine;octadeca-1,3,5,7,9,11,13,15,17-nonayne;phosphanylphosphane;bis(pyridine);2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride
N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;N-[2-[(4aR,6S,8aR)-2-benzamido-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid;heptadeca-1,3,5,7,9,11,13,15-octayne;methane;O-methylhydroxylamine;octadeca-1,3,5,7,9,11,13,15,17-nonayne;phosphanylphosphane;bis(pyridine);2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride (PubChem CID 161102342) has the molecular formula C118H115ClF3N18O19P5S6
and a molecular weight of 2529.04 g/mol. Its IUPAC name is N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;N-[2-[(4aR,6S,8aR)-2-benzamido-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid;heptadeca-1,3,5,7,9,11,13,15-octayne;methane;O-methylhydroxylamine;octadeca-1,3,5,7,9,11,13,15,17-nonayne;phosphanylphosphane;bis(pyridine);2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride.
Frequently Asked Questions
What is the IUPAC name of N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;N-[2-[(4aR,6S,8aR)-2-benzamido-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid;heptadeca-1,3,5,7,9,11,13,15-octayne;methane;O-methylhydroxylamine;octadeca-1,3,5,7,9,11,13,15,17-nonayne;phosphanylphosphane;bis(pyridine);2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride?
The IUPAC name of N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;N-[2-[(4aR,6S,8aR)-2-benzamido-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid;heptadeca-1,3,5,7,9,11,13,15-octayne;methane;O-methylhydroxylamine;octadeca-1,3,5,7,9,11,13,15,17-nonayne;phosphanylphosphane;bis(pyridine);2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride (CID 161102342) is N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;N-[2-[(4aR,6S,8aR)-2-benzamido-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid;heptadeca-1,3,5,7,9,11,13,15-octayne;methane;O-methylhydroxylamine;octadeca-1,3,5,7,9,11,13,15,17-nonayne;phosphanylphosphane;bis(pyridine);2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride.
What is the SMILES notation for N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;N-[2-[(4aR,6S,8aR)-2-benzamido-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid;heptadeca-1,3,5,7,9,11,13,15-octayne;methane;O-methylhydroxylamine;octadeca-1,3,5,7,9,11,13,15,17-nonayne;phosphanylphosphane;bis(pyridine);2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride?
The canonical SMILES for N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;N-[2-[(4aR,6S,8aR)-2-benzamido-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid;heptadeca-1,3,5,7,9,11,13,15-octayne;methane;O-methylhydroxylamine;octadeca-1,3,5,7,9,11,13,15,17-nonayne;phosphanylphosphane;bis(pyridine);2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride is C.C#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#C.CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1.CON.C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2nc(NC(=O)c3coc(CF)n3)cs2)CO1.C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@@]2(c2nc(N)cs2)CO1.C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@@]2(c2nc(NC(=O)c3coc(CF)n3)cs2)CO1.Cl.O=C(O)c1coc(CF)n1.PP.c1ccncc1.c1ccncc1.
What is the InChIKey of N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;N-[2-[(4aR,6S,8aR)-2-benzamido-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid;heptadeca-1,3,5,7,9,11,13,15-octayne;methane;O-methylhydroxylamine;octadeca-1,3,5,7,9,11,13,15,17-nonayne;phosphanylphosphane;bis(pyridine);2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride?
The InChIKey is LLRPUCVHYUYLDI-PMOFPVCPSA-N. The full InChI is InChI=1S/C23H22FN5O4S2.C18H20N4O2S2.C18H2.C17H4.C16H18FN5O3S2.C9H21O6P3.C5H4FNO3.2C5H5N.CH5NO.CH4.ClH.H4P2/c1-13-7-15-10-35-22(28-19(30)14-5-3-2-4-6-14)29-23(15,12-33-13)21-27-17(11-34-21)26-20(31)16-9-32-18(8-24)25-16;1-11-7-13-8-26-17(21-15(23)12-5-3-2-4-6-12)22-18(13,10-24-11)16-20-14(19)9-25-16;1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-8-2-9-5-27-15(18)22-16(9,7-25-8)14-21-11(6-26-14)20-13(23)10-4-24-12(3-17)19-10;1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3;6-1-4-7-3(2-10-4)5(8)9;2*1-2-4-6-5-3-1;1-3-2;;;1-2/h2-6,9,11,13,15H,7-8,10,12H2,1H3,(H,26,31)(H,28,29,30);2-6,9,11,13H,7-8,10,19H2,1H3,(H,21,22,23);1-2H;1H,2H3;4,6,8-9H,2-3,5,7H2,1H3,(H2,18,22)(H,20,23);4-9H2,1-3H3;2H,1H2,(H,8,9);2*1-5H;2H2,1H3;1H4;1H;1-2H2/t13-,15-,23-;11-,13-,18-;;;8-,9-,16-;;;;;;;;/m00..0......../s1.
What are the key properties of N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;N-[2-[(4aR,6S,8aR)-2-benzamido-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid;heptadeca-1,3,5,7,9,11,13,15-octayne;methane;O-methylhydroxylamine;octadeca-1,3,5,7,9,11,13,15,17-nonayne;phosphanylphosphane;bis(pyridine);2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride?
N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;N-[2-[(4aR,6S,8aR)-2-benzamido-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid;heptadeca-1,3,5,7,9,11,13,15-octayne;methane;O-methylhydroxylamine;octadeca-1,3,5,7,9,11,13,15,17-nonayne;phosphanylphosphane;bis(pyridine);2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride has a molecular weight of 2529.04 g/mol, XLogP of 19.44, 19 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;N-[2-[(4aR,6S,8aR)-2-benzamido-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide;2-(fluoromethyl)-1,3-oxazole-4-carboxylic acid;heptadeca-1,3,5,7,9,11,13,15-octayne;methane;O-methylhydroxylamine;octadeca-1,3,5,7,9,11,13,15,17-nonayne;phosphanylphosphane;bis(pyridine);2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride is sourced from PubChem (CID 161102342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).