N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide

C139H148ClF8N31O31S8 — CID 159605415

IUPACN-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide
SMILESCC1(C)C(N)=N[C@@]2(c3cc(NC(=O)c4ccc(Cl)cn4)ccc3F)COC[C@H]2S1(=O)=O.CC1(C)C(N)=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2S1(=O)=O.CC1(C)C(N)=N[C@@]2(c3cc(NC(=O)c4cn5ccsc5n4)ccc3F)COC[C@H]2S1(=O)=O.COc1ccc(C(=O)Nc2ccc(F)c([C@]34COC[C@H]3S(=O)(=O)C(C)(C)C(N)=N4)c2)nc1.COc1cnc(C(=O)Nc2ccc(F)c([C@]34COC[C@H]3S(=O)(=O)C(C)(C)C(N)=N4)c2)cn1.Cc1cc(C(=O)Nc2ccc(F)c([C@]34COC[C@H]3S(=O)(=O)C(C)(C)C(N)=N4)c2)no1.Cn1ccc(C(=O)Nc2ccc(F)c([C@]34COC[C@H]3S(=O)(=O)C(C)(C)C(N)=N4)c2)n1
InChIInChI=1S/C21H23FN4O5S.C20H20ClFN4O4S.C20H20F2N4O4S.C20H22FN5O5S.C20H20FN5O4S2.C19H22FN5O4S.C19H21FN4O5S/c1-20(2)19(23)26-21(11-31-10-17(21)32(20,28)29)14-8-12(4-6-15(14)22)25-18(27)16-7-5-13(30-3)9-24-16;2*1-19(2)18(23)26-20(10-30-9-16(20)31(19,28)29)13-7-12(4-5-14(13)22)25-17(27)15-6-3-11(21)8-24-15;1-19(2)18(22)26-20(10-31-9-15(20)32(19,28)29)12-6-11(4-5-13(12)21)25-17(27)14-7-24-16(30-3)8-23-14;1-19(2)17(22)25-20(10-30-9-15(20)32(19,28)29)12-7-11(3-4-13(12)21)23-16(27)14-8-26-5-6-31-18(26)24-14;1-18(2)17(21)23-19(10-29-9-15(19)30(18,27)28)12-8-11(4-5-13(12)20)22-16(26)14-6-7-25(3)24-14;1-10-6-14(24-29-10)16(25)22-11-4-5-13(20)12(7-11)19-9-28-8-15(19)30(26,27)18(2,3)17(21)23-19/h4-9,17H,10-11H2,1-3H3,(H2,23,26)(H,25,27);2*3-8,16H,9-10H2,1-2H3,(H2,23,26)(H,25,27);4-8,15H,9-10H2,1-3H3,(H2,22,26)(H,25,27);3-8,15H,9-10H2,1-2H3,(H2,22,25)(H,23,27);4-8,15H,9-10H2,1-3H3,(H2,21,23)(H,22,26);4-7,15H,8-9H2,1-3H3,(H2,21,23)(H,22,25)/t17-,21-;2*16-,20-;2*15-,20-;2*15-,19-/m1111111/s1
InChIKeyMMACUGQOYUTOAU-RTBIUVDHSA-N
MW3192.87 g/mol
LogP11.18
Rot. Bonds23

About N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide

N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 159605415) has the molecular formula C139H148ClF8N31O31S8 and a molecular weight of 3192.87 g/mol. Its IUPAC name is N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide
PubChem CID159605415
Molecular FormulaC139H148ClF8N31O31S8
Molecular Weight3192.87 g/mol
Exact Mass3189.83
IUPAC NameN-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide
SMILESCC1(C)C(N)=N[C@@]2(c3cc(NC(=O)c4ccc(Cl)cn4)ccc3F)COC[C@H]2S1(=O)=O.CC1(C)C(N)=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2S1(=O)=O.CC1(C)C(N)=N[C@@]2(c3cc(NC(=O)c4cn5ccsc5n4)ccc3F)COC[C@H]2S1(=O)=O.COc1ccc(C(=O)Nc2ccc(F)c([C@]34COC[C@H]3S(=O)(=O)C(C)(C)C(N)=N4)c2)nc1.COc1cnc(C(=O)Nc2ccc(F)c([C@]34COC[C@H]3S(=O)(=O)C(C)(C)C(N)=N4)c2)cn1.Cc1cc(C(=O)Nc2ccc(F)c([C@]34COC[C@H]3S(=O)(=O)C(C)(C)C(N)=N4)c2)no1.Cn1ccc(C(=O)Nc2ccc(F)c([C@]34COC[C@H]3S(=O)(=O)C(C)(C)C(N)=N4)c2)n1
InChIInChI=1S/C21H23FN4O5S.C20H20ClFN4O4S.C20H20F2N4O4S.C20H22FN5O5S.C20H20FN5O4S2.C19H22FN5O4S.C19H21FN4O5S/c1-20(2)19(23)26-21(11-31-10-17(21)32(20,28)29)14-8-12(4-6-15(14)22)25-18(27)16-7-5-13(30-3)9-24-16;2*1-19(2)18(23)26-20(10-30-9-16(20)31(19,28)29)13-7-12(4-5-14(13)22)25-17(27)15-6-3-11(21)8-24-15;1-19(2)18(22)26-20(10-31-9-15(20)32(19,28)29)12-6-11(4-5-13(12)21)25-17(27)14-7-24-16(30-3)8-23-14;1-19(2)17(22)25-20(10-30-9-15(20)32(19,28)29)12-7-11(3-4-13(12)21)23-16(27)14-8-26-5-6-31-18(26)24-14;1-18(2)17(21)23-19(10-29-9-15(19)30(18,27)28)12-8-11(4-5-13(12)20)22-16(26)14-6-7-25(3)24-14;1-10-6-14(24-29-10)16(25)22-11-4-5-13(20)12(7-11)19-9-28-8-15(19)30(26,27)18(2,3)17(21)23-19/h4-9,17H,10-11H2,1-3H3,(H2,23,26)(H,25,27);2*3-8,16H,9-10H2,1-2H3,(H2,23,26)(H,25,27);4-8,15H,9-10H2,1-3H3,(H2,22,26)(H,25,27);3-8,15H,9-10H2,1-2H3,(H2,22,25)(H,23,27);4-8,15H,9-10H2,1-3H3,(H2,21,23)(H,22,26);4-7,15H,8-9H2,1-3H3,(H2,21,23)(H,22,25)/t17-,21-;2*16-,20-;2*15-,20-;2*15-,19-/m1111111/s1
InChIKeyMMACUGQOYUTOAU-RTBIUVDHSA-N
XLogP11.18
TPSA920.01 Ų
H-Bond Donors14
H-Bond Acceptors56
Rotatable Bonds23
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003192.87
LogP ≤ 511.18
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1056

Analyze N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide (CID 159605415) is N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide is CC1(C)C(N)=N[C@@]2(c3cc(NC(=O)c4ccc(Cl)cn4)ccc3F)COC[C@H]2S1(=O)=O.CC1(C)C(N)=N[C@@]2(c3cc(NC(=O)c4ccc(F)cn4)ccc3F)COC[C@H]2S1(=O)=O.CC1(C)C(N)=N[C@@]2(c3cc(NC(=O)c4cn5ccsc5n4)ccc3F)COC[C@H]2S1(=O)=O.COc1ccc(C(=O)Nc2ccc(F)c([C@]34COC[C@H]3S(=O)(=O)C(C)(C)C(N)=N4)c2)nc1.COc1cnc(C(=O)Nc2ccc(F)c([C@]34COC[C@H]3S(=O)(=O)C(C)(C)C(N)=N4)c2)cn1.Cc1cc(C(=O)Nc2ccc(F)c([C@]34COC[C@H]3S(=O)(=O)C(C)(C)C(N)=N4)c2)no1.Cn1ccc(C(=O)Nc2ccc(F)c([C@]34COC[C@H]3S(=O)(=O)C(C)(C)C(N)=N4)c2)n1.
What is the InChIKey of N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is MMACUGQOYUTOAU-RTBIUVDHSA-N. The full InChI is InChI=1S/C21H23FN4O5S.C20H20ClFN4O4S.C20H20F2N4O4S.C20H22FN5O5S.C20H20FN5O4S2.C19H22FN5O4S.C19H21FN4O5S/c1-20(2)19(23)26-21(11-31-10-17(21)32(20,28)29)14-8-12(4-6-15(14)22)25-18(27)16-7-5-13(30-3)9-24-16;2*1-19(2)18(23)26-20(10-30-9-16(20)31(19,28)29)13-7-12(4-5-14(13)22)25-17(27)15-6-3-11(21)8-24-15;1-19(2)18(22)26-20(10-31-9-15(20)32(19,28)29)12-6-11(4-5-13(12)21)25-17(27)14-7-24-16(30-3)8-23-14;1-19(2)17(22)25-20(10-30-9-15(20)32(19,28)29)12-7-11(3-4-13(12)21)23-16(27)14-8-26-5-6-31-18(26)24-14;1-18(2)17(21)23-19(10-29-9-15(19)30(18,27)28)12-8-11(4-5-13(12)20)22-16(26)14-6-7-25(3)24-14;1-10-6-14(24-29-10)16(25)22-11-4-5-13(20)12(7-11)19-9-28-8-15(19)30(26,27)18(2,3)17(21)23-19/h4-9,17H,10-11H2,1-3H3,(H2,23,26)(H,25,27);2*3-8,16H,9-10H2,1-2H3,(H2,23,26)(H,25,27);4-8,15H,9-10H2,1-3H3,(H2,22,26)(H,25,27);3-8,15H,9-10H2,1-2H3,(H2,22,25)(H,23,27);4-8,15H,9-10H2,1-3H3,(H2,21,23)(H,22,26);4-7,15H,8-9H2,1-3H3,(H2,21,23)(H,22,25)/t17-,21-;2*16-,20-;2*15-,20-;2*15-,19-/m1111111/s1.
What are the key properties of N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide?
N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 3192.87 g/mol, XLogP of 11.18, 23 rotatable bonds, 14 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-5-methyl-1,2-oxazole-3-carboxamide;N-[3-[(4aS,7aS)-3-amino-2,2-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-b][1,4]thiazin-4a-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 159605415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).