N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-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)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyridine-2-carboxamide

C120H113Cl5F17N39O23S7 — CID 157320765

IUPACN-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-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)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyridine-2-carboxamide
SMILESCN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3ccc(C#N)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3ccc(C(F)(F)F)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3ncc(Cl)cc3Cl)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F)CS1(=O)=O.COc1ccc(C(=O)Nc2cc(F)c(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)nc1.COc1cnc(C(=O)Nc2cc(F)c(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)cn1
InChIInChI=1S/C18H16F5N5O3S.C18H18F3N5O4S.C18H16F2N6O3S.C17H15Cl2F2N5O3S.C17H17F3N6O4S.C16H15Cl2FN6O3S.C16H16ClFN6O3S/c1-17(8-32(30,31)28(2)16(24)27-17)13-10(19)4-6-11(14(13)20)26-15(29)12-5-3-9(7-25-12)18(21,22)23;1-18(8-31(28,29)26(2)17(22)25-18)13-14(20)10(19)6-12(15(13)21)24-16(27)11-5-4-9(30-3)7-23-11;1-18(9-30(28,29)26(2)17(22)25-18)14-11(19)4-6-12(15(14)20)24-16(27)13-5-3-10(7-21)8-23-13;1-17(7-30(28,29)26(2)16(22)25-17)12-10(20)3-4-11(13(12)21)24-15(27)14-9(19)5-8(18)6-23-14;1-17(7-31(28,29)26(2)16(21)25-17)12-13(19)8(18)4-9(14(12)20)24-15(27)10-5-23-11(30-3)6-22-10;1-16(7-29(27,28)25(2)15(20)24-16)13-10(19)3-4-11(22-13)23-14(26)12-9(18)5-8(17)6-21-12;1-16(8-28(26,27)24(2)15(19)23-16)13-10(18)4-6-12(21-13)22-14(25)11-5-3-9(17)7-20-11/h3-7H,8H2,1-2H3,(H2,24,27)(H,26,29);4-7H,8H2,1-3H3,(H2,22,25)(H,24,27);3-6,8H,9H2,1-2H3,(H2,22,25)(H,24,27);3-6H,7H2,1-2H3,(H2,22,25)(H,24,27);4-6H,7H2,1-3H3,(H2,21,25)(H,24,27);3-6H,7H2,1-2H3,(H2,20,24)(H,22,23,26);3-7H,8H2,1-2H3,(H2,19,23)(H,21,22,25)/t17-;2*18-;2*17-;2*16-/m0000000/s1
InChIKeyBEDDZVWRJGBAMZ-PVEKJMIMSA-N
MW3194.17 g/mol
LogP12.28
Rot. Bonds23

About N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-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)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-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-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-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)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyridine-2-carboxamide (PubChem CID 157320765) has the molecular formula C120H113Cl5F17N39O23S7 and a molecular weight of 3194.17 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-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-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)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyridine-2-carboxamide.

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-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-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)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyridine-2-carboxamide
PubChem CID157320765
Molecular FormulaC120H113Cl5F17N39O23S7
Molecular Weight3194.17 g/mol
Exact Mass3189.51
IUPAC NameN-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-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)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyridine-2-carboxamide
SMILESCN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3ccc(C#N)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3ccc(C(F)(F)F)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3ncc(Cl)cc3Cl)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F)CS1(=O)=O.COc1ccc(C(=O)Nc2cc(F)c(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)nc1.COc1cnc(C(=O)Nc2cc(F)c(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)cn1
InChIInChI=1S/C18H16F5N5O3S.C18H18F3N5O4S.C18H16F2N6O3S.C17H15Cl2F2N5O3S.C17H17F3N6O4S.C16H15Cl2FN6O3S.C16H16ClFN6O3S/c1-17(8-32(30,31)28(2)16(24)27-17)13-10(19)4-6-11(14(13)20)26-15(29)12-5-3-9(7-25-12)18(21,22)23;1-18(8-31(28,29)26(2)17(22)25-18)13-14(20)10(19)6-12(15(13)21)24-16(27)11-5-4-9(30-3)7-23-11;1-18(9-30(28,29)26(2)17(22)25-18)14-11(19)4-6-12(15(14)20)24-16(27)13-5-3-10(7-21)8-23-13;1-17(7-30(28,29)26(2)16(22)25-17)12-10(20)3-4-11(13(12)21)24-15(27)14-9(19)5-8(18)6-23-14;1-17(7-31(28,29)26(2)16(21)25-17)12-13(19)8(18)4-9(14(12)20)24-15(27)10-5-23-11(30-3)6-22-10;1-16(7-29(27,28)25(2)15(20)24-16)13-10(19)3-4-11(22-13)23-14(26)12-9(18)5-8(17)6-21-12;1-16(8-28(26,27)24(2)15(19)23-16)13-10(18)4-6-12(21-13)22-14(25)11-5-3-9(17)7-20-11/h3-7H,8H2,1-2H3,(H2,24,27)(H,26,29);4-7H,8H2,1-3H3,(H2,22,25)(H,24,27);3-6,8H,9H2,1-2H3,(H2,22,25)(H,24,27);3-6H,7H2,1-2H3,(H2,22,25)(H,24,27);4-6H,7H2,1-3H3,(H2,21,25)(H,24,27);3-6H,7H2,1-2H3,(H2,20,24)(H,22,23,26);3-7H,8H2,1-2H3,(H2,19,23)(H,21,22,25)/t17-;2*18-;2*17-;2*16-/m0000000/s1
InChIKeyBEDDZVWRJGBAMZ-PVEKJMIMSA-N
XLogP12.28
TPSA905.17 Ų
H-Bond Donors14
H-Bond Acceptors48
Rotatable Bonds23
Heavy Atoms211
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003194.17
LogP ≤ 512.28
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-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)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyridine-2-carboxamide with MolForge

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Related Compounds

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-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-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)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyridine-2-carboxamide?
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-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-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)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyridine-2-carboxamide (CID 157320765) is N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-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)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyridine-2-carboxamide.
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-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-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)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyridine-2-carboxamide?
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-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-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)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyridine-2-carboxamide is CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3ccc(C#N)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3ccc(C(F)(F)F)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2c(F)ccc(NC(=O)c3ncc(Cl)cc3Cl)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F)CS1(=O)=O.COc1ccc(C(=O)Nc2cc(F)c(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2F)nc1.COc1cnc(C(=O)Nc2cc(F)c(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-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-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)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyridine-2-carboxamide?
The InChIKey is BEDDZVWRJGBAMZ-PVEKJMIMSA-N. The full InChI is InChI=1S/C18H16F5N5O3S.C18H18F3N5O4S.C18H16F2N6O3S.C17H15Cl2F2N5O3S.C17H17F3N6O4S.C16H15Cl2FN6O3S.C16H16ClFN6O3S/c1-17(8-32(30,31)28(2)16(24)27-17)13-10(19)4-6-11(14(13)20)26-15(29)12-5-3-9(7-25-12)18(21,22)23;1-18(8-31(28,29)26(2)17(22)25-18)13-14(20)10(19)6-12(15(13)21)24-16(27)11-5-4-9(30-3)7-23-11;1-18(9-30(28,29)26(2)17(22)25-18)14-11(19)4-6-12(15(14)20)24-16(27)13-5-3-10(7-21)8-23-13;1-17(7-30(28,29)26(2)16(22)25-17)12-10(20)3-4-11(13(12)21)24-15(27)14-9(19)5-8(18)6-23-14;1-17(7-31(28,29)26(2)16(21)25-17)12-13(19)8(18)4-9(14(12)20)24-15(27)10-5-23-11(30-3)6-22-10;1-16(7-29(27,28)25(2)15(20)24-16)13-10(19)3-4-11(22-13)23-14(26)12-9(18)5-8(17)6-21-12;1-16(8-28(26,27)24(2)15(19)23-16)13-10(18)4-6-12(21-13)22-14(25)11-5-3-9(17)7-20-11/h3-7H,8H2,1-2H3,(H2,24,27)(H,26,29);4-7H,8H2,1-3H3,(H2,22,25)(H,24,27);3-6,8H,9H2,1-2H3,(H2,22,25)(H,24,27);3-6H,7H2,1-2H3,(H2,22,25)(H,24,27);4-6H,7H2,1-3H3,(H2,21,25)(H,24,27);3-6H,7H2,1-2H3,(H2,20,24)(H,22,23,26);3-7H,8H2,1-2H3,(H2,19,23)(H,21,22,25)/t17-;2*18-;2*17-;2*16-/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-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-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)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-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-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-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)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyridine-2-carboxamide has a molecular weight of 3194.17 g/mol, XLogP of 12.28, 23 rotatable bonds, 14 hydrogen bond donors, and 48 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-cyanopyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-3,5-dichloropyridine-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)pyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 157320765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).