N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]acetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]cyclopropanecarboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-2-methoxyacetamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]cyclopropanecarboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methoxyacetamide

C104H126F12N34O24S7 — CID 158023363

IUPACN-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]acetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]cyclopropanecarboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-2-methoxyacetamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]cyclopropanecarboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methoxyacetamide
SMILESCC(=O)Nc1ccc(F)c([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)c1F.CCOc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)cn1.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)C3CC3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cccc(NC(=O)C3CC3)n2)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2F)CS1(=O)=O.COCC(=O)Nc1ccc(F)c([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)c1F.COCC(=O)Nc1cncc([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)c1
InChIInChI=1S/C18H20F2N6O4S.C17H16F4N6O3S.C15H18F2N4O3S.C14H18F2N4O4S.C14H19N5O3S.C13H16F2N4O3S.C13H19N5O4S/c1-4-30-13-8-22-12(7-23-13)16(27)24-11-6-5-10(19)14(15(11)20)18(2)9-31(28,29)26(3)17(21)25-18;1-16(8-31(29,30)27(2)15(22)26-16)13-10(18)4-6-12(24-13)25-14(28)11-5-3-9(7-23-11)17(19,20)21;1-15(7-25(23,24)21(2)14(18)20-15)11-9(16)5-6-10(12(11)17)19-13(22)8-3-4-8;1-14(7-25(22,23)20(2)13(17)19-14)11-8(15)4-5-9(12(11)16)18-10(21)6-24-3;1-14(8-23(21,22)19(2)13(15)18-14)10-4-3-5-11(16-10)17-12(20)9-6-7-9;1-7(20)17-9-5-4-8(14)10(11(9)15)13(2)6-23(21,22)19(3)12(16)18-13;1-13(8-23(20,21)18(2)12(14)17-13)9-4-10(6-15-5-9)16-11(19)7-22-3/h5-8H,4,9H2,1-3H3,(H2,21,25)(H,24,27);3-7H,8H2,1-2H3,(H2,22,26)(H,24,25,28);5-6,8H,3-4,7H2,1-2H3,(H2,18,20)(H,19,22);4-5H,6-7H2,1-3H3,(H2,17,19)(H,18,21);3-5,9H,6-8H2,1-2H3,(H2,15,18)(H,16,17,20);4-5H,6H2,1-3H3,(H2,16,18)(H,17,20);4-6H,7-8H2,1-3H3,(H2,14,17)(H,16,19)/t18-;16-;15-;2*14-;2*13-/m0000000/s1
InChIKeyFGHYGTTUFSIFSI-VEROUDRJSA-N
MW2688.81 g/mol
LogP4.81
Rot. Bonds24

About N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]acetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]cyclopropanecarboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-2-methoxyacetamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]cyclopropanecarboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methoxyacetamide

N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]acetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]cyclopropanecarboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-2-methoxyacetamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]cyclopropanecarboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methoxyacetamide (PubChem CID 158023363) has the molecular formula C104H126F12N34O24S7 and a molecular weight of 2688.81 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]acetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]cyclopropanecarboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-2-methoxyacetamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]cyclopropanecarboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]acetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]cyclopropanecarboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-2-methoxyacetamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]cyclopropanecarboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methoxyacetamide
PubChem CID158023363
Molecular FormulaC104H126F12N34O24S7
Molecular Weight2688.81 g/mol
Exact Mass2686.75
IUPAC NameN-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]acetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]cyclopropanecarboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-2-methoxyacetamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]cyclopropanecarboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methoxyacetamide
SMILESCC(=O)Nc1ccc(F)c([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)c1F.CCOc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)cn1.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)C3CC3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cccc(NC(=O)C3CC3)n2)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2F)CS1(=O)=O.COCC(=O)Nc1ccc(F)c([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)c1F.COCC(=O)Nc1cncc([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)c1
InChIInChI=1S/C18H20F2N6O4S.C17H16F4N6O3S.C15H18F2N4O3S.C14H18F2N4O4S.C14H19N5O3S.C13H16F2N4O3S.C13H19N5O4S/c1-4-30-13-8-22-12(7-23-13)16(27)24-11-6-5-10(19)14(15(11)20)18(2)9-31(28,29)26(3)17(21)25-18;1-16(8-31(29,30)27(2)15(22)26-16)13-10(18)4-6-12(24-13)25-14(28)11-5-3-9(7-23-11)17(19,20)21;1-15(7-25(23,24)21(2)14(18)20-15)11-9(16)5-6-10(12(11)17)19-13(22)8-3-4-8;1-14(7-25(22,23)20(2)13(17)19-14)11-8(15)4-5-9(12(11)16)18-10(21)6-24-3;1-14(8-23(21,22)19(2)13(15)18-14)10-4-3-5-11(16-10)17-12(20)9-6-7-9;1-7(20)17-9-5-4-8(14)10(11(9)15)13(2)6-23(21,22)19(3)12(16)18-13;1-13(8-23(20,21)18(2)12(14)17-13)9-4-10(6-15-5-9)16-11(19)7-22-3/h5-8H,4,9H2,1-3H3,(H2,21,25)(H,24,27);3-7H,8H2,1-2H3,(H2,22,26)(H,24,25,28);5-6,8H,3-4,7H2,1-2H3,(H2,18,20)(H,19,22);4-5H,6-7H2,1-3H3,(H2,17,19)(H,18,21);3-5,9H,6-8H2,1-2H3,(H2,15,18)(H,16,17,20);4-5H,6H2,1-3H3,(H2,16,18)(H,17,20);4-6H,7-8H2,1-3H3,(H2,14,17)(H,16,19)/t18-;16-;15-;2*14-;2*13-/m0000000/s1
InChIKeyFGHYGTTUFSIFSI-VEROUDRJSA-N
XLogP4.81
TPSA839.05 Ų
H-Bond Donors14
H-Bond Acceptors44
Rotatable Bonds24
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002688.81
LogP ≤ 54.81
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1044

Analyze N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]acetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]cyclopropanecarboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-2-methoxyacetamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]cyclopropanecarboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methoxyacetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-chloropyridine-2-carboxamide
CID 88594219
N-[6-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-2-pyridinyl]-3,5-difluoropyridine-2-carboxamide
CID 75630020
N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1,2-oxazole-3-carboxamide
CID 51352448
N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 77411750
N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-chloropyridine-2-carboxamide
CID 51352404
N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 75603740
N-[[4-[(6-chloroquinolin-2-yl)carbamoyl]cyclohexyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 166158850
2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-1-(3-fluoro-5-methoxy-2-pyridinyl)ethanone
CID 159878334
N-[6-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-2-pyridinyl]-5-methoxypyrazine-2-carboxamide
CID 142391383
N-[3-[(4aS,7R,7aS)-3-amino-7-(fluoromethyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 71468771
N-[6-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 86296222
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4,5-difluorophenyl]-5-ethoxypyrazine-2-carboxamide
CID 68943180

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]acetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]cyclopropanecarboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-2-methoxyacetamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]cyclopropanecarboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methoxyacetamide?
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]acetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]cyclopropanecarboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-2-methoxyacetamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]cyclopropanecarboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methoxyacetamide (CID 158023363) is N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]acetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]cyclopropanecarboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-2-methoxyacetamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]cyclopropanecarboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methoxyacetamide.
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]acetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]cyclopropanecarboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-2-methoxyacetamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]cyclopropanecarboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methoxyacetamide?
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]acetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]cyclopropanecarboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-2-methoxyacetamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]cyclopropanecarboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methoxyacetamide is CC(=O)Nc1ccc(F)c([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)c1F.CCOc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)cn1.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)C3CC3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cccc(NC(=O)C3CC3)n2)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2F)CS1(=O)=O.COCC(=O)Nc1ccc(F)c([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)c1F.COCC(=O)Nc1cncc([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)c1.
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]acetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]cyclopropanecarboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-2-methoxyacetamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]cyclopropanecarboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methoxyacetamide?
The InChIKey is FGHYGTTUFSIFSI-VEROUDRJSA-N. The full InChI is InChI=1S/C18H20F2N6O4S.C17H16F4N6O3S.C15H18F2N4O3S.C14H18F2N4O4S.C14H19N5O3S.C13H16F2N4O3S.C13H19N5O4S/c1-4-30-13-8-22-12(7-23-13)16(27)24-11-6-5-10(19)14(15(11)20)18(2)9-31(28,29)26(3)17(21)25-18;1-16(8-31(29,30)27(2)15(22)26-16)13-10(18)4-6-12(24-13)25-14(28)11-5-3-9(7-23-11)17(19,20)21;1-15(7-25(23,24)21(2)14(18)20-15)11-9(16)5-6-10(12(11)17)19-13(22)8-3-4-8;1-14(7-25(22,23)20(2)13(17)19-14)11-8(15)4-5-9(12(11)16)18-10(21)6-24-3;1-14(8-23(21,22)19(2)13(15)18-14)10-4-3-5-11(16-10)17-12(20)9-6-7-9;1-7(20)17-9-5-4-8(14)10(11(9)15)13(2)6-23(21,22)19(3)12(16)18-13;1-13(8-23(20,21)18(2)12(14)17-13)9-4-10(6-15-5-9)16-11(19)7-22-3/h5-8H,4,9H2,1-3H3,(H2,21,25)(H,24,27);3-7H,8H2,1-2H3,(H2,22,26)(H,24,25,28);5-6,8H,3-4,7H2,1-2H3,(H2,18,20)(H,19,22);4-5H,6-7H2,1-3H3,(H2,17,19)(H,18,21);3-5,9H,6-8H2,1-2H3,(H2,15,18)(H,16,17,20);4-5H,6H2,1-3H3,(H2,16,18)(H,17,20);4-6H,7-8H2,1-3H3,(H2,14,17)(H,16,19)/t18-;16-;15-;2*14-;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]acetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]cyclopropanecarboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-2-methoxyacetamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]cyclopropanecarboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methoxyacetamide?
N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]acetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]cyclopropanecarboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-2-methoxyacetamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]cyclopropanecarboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methoxyacetamide has a molecular weight of 2688.81 g/mol, XLogP of 4.81, 24 rotatable bonds, 14 hydrogen bond donors, and 44 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]acetamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]cyclopropanecarboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-ethoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-2-methoxyacetamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]cyclopropanecarboxamide;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methoxyacetamide is sourced from PubChem (CID 158023363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).