N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-2,2-difluoroacetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-methylcyclopropane-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,3,3-trifluoropropanamide

C113H121F22N35O24S7 — CID 161465811

IUPACN-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-2,2-difluoroacetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-methylcyclopropane-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,3,3-trifluoropropanamide
SMILESCN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3cnc(C(F)(F)F)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3cnc(OCC(F)(F)F)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)C(F)F)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)C3(C)CC3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)CC(F)(F)F)ccc2F)CS1(=O)=O.COc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)nc1.COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)cn1
InChIInChI=1S/C18H17F5N6O4S.C18H19F2N5O4S.C17H15F5N6O3S.C17H18F2N6O4S.C16H21FN4O3S.C14H16F4N4O3S.C13H15F3N4O3S/c1-17(8-34(31,32)29(2)16(24)28-17)13-9(19)3-4-10(14(13)20)27-15(30)11-5-26-12(6-25-11)33-7-18(21,22)23;1-18(9-30(27,28)25(2)17(21)24-18)14-11(19)5-7-12(15(14)20)23-16(26)13-6-4-10(29-3)8-22-13;1-16(7-32(30,31)28(2)15(23)27-16)12-8(18)3-4-9(13(12)19)26-14(29)10-5-25-11(6-24-10)17(20,21)22;1-17(8-30(27,28)25(2)16(20)24-17)13-9(18)4-5-10(14(13)19)23-15(26)11-6-22-12(29-3)7-21-11;1-15(6-7-15)13(22)19-10-4-5-12(17)11(8-10)16(2)9-25(23,24)21(3)14(18)20-16;1-13(7-26(24,25)22(2)12(19)21-13)9-5-8(3-4-10(9)15)20-11(23)6-14(16,17)18;1-13(6-24(22,23)20(2)12(17)19-13)8-5-7(3-4-9(8)14)18-11(21)10(15)16/h3-6H,7-8H2,1-2H3,(H2,24,28)(H,27,30);4-8H,9H2,1-3H3,(H2,21,24)(H,23,26);3-6H,7H2,1-2H3,(H2,23,27)(H,26,29);4-7H,8H2,1-3H3,(H2,20,24)(H,23,26);4-5,8H,6-7,9H2,1-3H3,(H2,18,20)(H,19,22);3-5H,6-7H2,1-2H3,(H2,19,21)(H,20,23);3-5,10H,6H2,1-2H3,(H2,17,19)(H,18,21)/t17-;18-;16-;17-;16-;2*13-/m0000000/s1
InChIKeyWCKMOVMHYRGHJK-YKPHCJQDSA-N
MW2995.86 g/mol
LogP9.56
Rot. Bonds25

About N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-2,2-difluoroacetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-methylcyclopropane-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,3,3-trifluoropropanamide

N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-2,2-difluoroacetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-methylcyclopropane-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,3,3-trifluoropropanamide (PubChem CID 161465811) has the molecular formula C113H121F22N35O24S7 and a molecular weight of 2995.86 g/mol. Its IUPAC name is N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-2,2-difluoroacetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-methylcyclopropane-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-2,2-difluoroacetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-methylcyclopropane-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,3,3-trifluoropropanamide
PubChem CID161465811
Molecular FormulaC113H121F22N35O24S7
Molecular Weight2995.86 g/mol
Exact Mass2993.70
IUPAC NameN-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-2,2-difluoroacetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-methylcyclopropane-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,3,3-trifluoropropanamide
SMILESCN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3cnc(C(F)(F)F)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3cnc(OCC(F)(F)F)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)C(F)F)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)C3(C)CC3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)CC(F)(F)F)ccc2F)CS1(=O)=O.COc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)nc1.COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)cn1
InChIInChI=1S/C18H17F5N6O4S.C18H19F2N5O4S.C17H15F5N6O3S.C17H18F2N6O4S.C16H21FN4O3S.C14H16F4N4O3S.C13H15F3N4O3S/c1-17(8-34(31,32)29(2)16(24)28-17)13-9(19)3-4-10(14(13)20)27-15(30)11-5-26-12(6-25-11)33-7-18(21,22)23;1-18(9-30(27,28)25(2)17(21)24-18)14-11(19)5-7-12(15(14)20)23-16(26)13-6-4-10(29-3)8-22-13;1-16(7-32(30,31)28(2)15(23)27-16)12-8(18)3-4-9(13(12)19)26-14(29)10-5-25-11(6-24-10)17(20,21)22;1-17(8-30(27,28)25(2)16(20)24-17)13-9(18)4-5-10(14(13)19)23-15(26)11-6-22-12(29-3)7-21-11;1-15(6-7-15)13(22)19-10-4-5-12(17)11(8-10)16(2)9-25(23,24)21(3)14(18)20-16;1-13(7-26(24,25)22(2)12(19)21-13)9-5-8(3-4-10(9)15)20-11(23)6-14(16,17)18;1-13(6-24(22,23)20(2)12(17)19-13)8-5-7(3-4-9(8)14)18-11(21)10(15)16/h3-6H,7-8H2,1-2H3,(H2,24,28)(H,27,30);4-8H,9H2,1-3H3,(H2,21,24)(H,23,26);3-6H,7H2,1-2H3,(H2,23,27)(H,26,29);4-7H,8H2,1-3H3,(H2,20,24)(H,23,26);4-5,8H,6-7,9H2,1-3H3,(H2,18,20)(H,19,22);3-5H,6-7H2,1-2H3,(H2,19,21)(H,20,23);3-5,10H,6H2,1-2H3,(H2,17,19)(H,18,21)/t17-;18-;16-;17-;16-;2*13-/m0000000/s1
InChIKeyWCKMOVMHYRGHJK-YKPHCJQDSA-N
XLogP9.56
TPSA851.94 Ų
H-Bond Donors14
H-Bond Acceptors45
Rotatable Bonds25
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002995.86
LogP ≤ 59.56
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1045

Analyze N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-2,2-difluoroacetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-methylcyclopropane-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,3,3-trifluoropropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-2,2-difluoroacetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-methylcyclopropane-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-2,2-difluoroacetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-methylcyclopropane-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,3,3-trifluoropropanamide (CID 161465811) is N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-2,2-difluoroacetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-methylcyclopropane-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-2,2-difluoroacetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-methylcyclopropane-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-2,2-difluoroacetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-methylcyclopropane-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,3,3-trifluoropropanamide is CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3cnc(C(F)(F)F)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3cnc(OCC(F)(F)F)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)C(F)F)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)C3(C)CC3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)CC(F)(F)F)ccc2F)CS1(=O)=O.COc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)nc1.COc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)cn1.
What is the InChIKey of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-2,2-difluoroacetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-methylcyclopropane-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,3,3-trifluoropropanamide?
The InChIKey is WCKMOVMHYRGHJK-YKPHCJQDSA-N. The full InChI is InChI=1S/C18H17F5N6O4S.C18H19F2N5O4S.C17H15F5N6O3S.C17H18F2N6O4S.C16H21FN4O3S.C14H16F4N4O3S.C13H15F3N4O3S/c1-17(8-34(31,32)29(2)16(24)28-17)13-9(19)3-4-10(14(13)20)27-15(30)11-5-26-12(6-25-11)33-7-18(21,22)23;1-18(9-30(27,28)25(2)17(21)24-18)14-11(19)5-7-12(15(14)20)23-16(26)13-6-4-10(29-3)8-22-13;1-16(7-32(30,31)28(2)15(23)27-16)12-8(18)3-4-9(13(12)19)26-14(29)10-5-25-11(6-24-10)17(20,21)22;1-17(8-30(27,28)25(2)16(20)24-17)13-9(18)4-5-10(14(13)19)23-15(26)11-6-22-12(29-3)7-21-11;1-15(6-7-15)13(22)19-10-4-5-12(17)11(8-10)16(2)9-25(23,24)21(3)14(18)20-16;1-13(7-26(24,25)22(2)12(19)21-13)9-5-8(3-4-10(9)15)20-11(23)6-14(16,17)18;1-13(6-24(22,23)20(2)12(17)19-13)8-5-7(3-4-9(8)14)18-11(21)10(15)16/h3-6H,7-8H2,1-2H3,(H2,24,28)(H,27,30);4-8H,9H2,1-3H3,(H2,21,24)(H,23,26);3-6H,7H2,1-2H3,(H2,23,27)(H,26,29);4-7H,8H2,1-3H3,(H2,20,24)(H,23,26);4-5,8H,6-7,9H2,1-3H3,(H2,18,20)(H,19,22);3-5H,6-7H2,1-2H3,(H2,19,21)(H,20,23);3-5,10H,6H2,1-2H3,(H2,17,19)(H,18,21)/t17-;18-;16-;17-;16-;2*13-/m0000000/s1.
What are the key properties of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-2,2-difluoroacetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-methylcyclopropane-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,3,3-trifluoropropanamide?
N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-2,2-difluoroacetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-methylcyclopropane-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,3,3-trifluoropropanamide has a molecular weight of 2995.86 g/mol, XLogP of 9.56, 25 rotatable bonds, 14 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-2,2-difluoroacetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-methylcyclopropane-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 161465811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).