N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-methoxypyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]morpholine-4-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]piperidine-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide;(5R)-5-[2-fluoro-5-(1,1,1-trifluorobutan-2-ylamino)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

C97H122Cl2F10N32O19S6 — CID 161335592

IUPACN-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-methoxypyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]morpholine-4-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]piperidine-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide;(5R)-5-[2-fluoro-5-(1,1,1-trifluorobutan-2-ylamino)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCCC(Nc1ccc(F)c([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)c1)C(F)(F)F.CN1C(N)=N[C@](C)(c2cc(NC(=O)N3CCCC3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)N3CCCCC3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)N3CCOCC3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2Cl)CS1(=O)=O.COc1cnc(C(=O)Nc2ccc(Cl)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)n2)cn1
InChIInChI=1S/C17H16ClF3N6O3S.C17H24FN5O3S.C16H18ClN7O4S.C16H22FN5O4S.C16H22FN5O3S.C15H20F4N4O2S/c1-16(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;1-17(11-27(25,26)22(2)15(19)21-17)13-10-12(6-7-14(13)18)20-16(24)23-8-4-3-5-9-23;1-16(8-29(26,27)24(2)15(18)23-16)13-9(17)4-5-11(21-13)22-14(25)10-6-20-12(28-3)7-19-10;1-16(10-27(24,25)21(2)14(18)20-16)12-9-11(3-4-13(12)17)19-15(23)22-5-7-26-8-6-22;1-16(10-26(24,25)21(2)14(18)20-16)12-9-11(5-6-13(12)17)19-15(23)22-7-3-4-8-22;1-4-12(15(17,18)19)21-9-5-6-11(16)10(7-9)14(2)8-26(24,25)23(3)13(20)22-14/h3-7H,8H2,1-2H3,(H2,22,26)(H,24,25,28);6-7,10H,3-5,8-9,11H2,1-2H3,(H2,19,21)(H,20,24);4-7H,8H2,1-3H3,(H2,18,23)(H,21,22,25);3-4,9H,5-8,10H2,1-2H3,(H2,18,20)(H,19,23);5-6,9H,3-4,7-8,10H2,1-2H3,(H2,18,20)(H,19,23);5-7,12,21H,4,8H2,1-3H3,(H2,20,22)/t16-;17-;3*16-;12?,14-/m000000/s1
InChIKeyVLZKNVBEYNYMPV-FKJGSSLYSA-N
MW2493.54 g/mol
LogP8.58
Rot. Bonds17

About N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-methoxypyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]morpholine-4-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]piperidine-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide;(5R)-5-[2-fluoro-5-(1,1,1-trifluorobutan-2-ylamino)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-methoxypyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]morpholine-4-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]piperidine-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide;(5R)-5-[2-fluoro-5-(1,1,1-trifluorobutan-2-ylamino)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 161335592) has the molecular formula C97H122Cl2F10N32O19S6 and a molecular weight of 2493.54 g/mol. Its IUPAC name is N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-methoxypyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]morpholine-4-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]piperidine-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide;(5R)-5-[2-fluoro-5-(1,1,1-trifluorobutan-2-ylamino)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound NameN-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-methoxypyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]morpholine-4-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]piperidine-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide;(5R)-5-[2-fluoro-5-(1,1,1-trifluorobutan-2-ylamino)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
PubChem CID161335592
Molecular FormulaC97H122Cl2F10N32O19S6
Molecular Weight2493.54 g/mol
Exact Mass2490.71
IUPAC NameN-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-methoxypyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]morpholine-4-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]piperidine-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide;(5R)-5-[2-fluoro-5-(1,1,1-trifluorobutan-2-ylamino)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCCC(Nc1ccc(F)c([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)c1)C(F)(F)F.CN1C(N)=N[C@](C)(c2cc(NC(=O)N3CCCC3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)N3CCCCC3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)N3CCOCC3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2Cl)CS1(=O)=O.COc1cnc(C(=O)Nc2ccc(Cl)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)n2)cn1
InChIInChI=1S/C17H16ClF3N6O3S.C17H24FN5O3S.C16H18ClN7O4S.C16H22FN5O4S.C16H22FN5O3S.C15H20F4N4O2S/c1-16(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;1-17(11-27(25,26)22(2)15(19)21-17)13-10-12(6-7-14(13)18)20-16(24)23-8-4-3-5-9-23;1-16(8-29(26,27)24(2)15(18)23-16)13-9(17)4-5-11(21-13)22-14(25)10-6-20-12(28-3)7-19-10;1-16(10-27(24,25)21(2)14(18)20-16)12-9-11(3-4-13(12)17)19-15(23)22-5-7-26-8-6-22;1-16(10-26(24,25)21(2)14(18)20-16)12-9-11(5-6-13(12)17)19-15(23)22-7-3-4-8-22;1-4-12(15(17,18)19)21-9-5-6-11(16)10(7-9)14(2)8-26(24,25)23(3)13(20)22-14/h3-7H,8H2,1-2H3,(H2,22,26)(H,24,25,28);6-7,10H,3-5,8-9,11H2,1-2H3,(H2,19,21)(H,20,24);4-7H,8H2,1-3H3,(H2,18,23)(H,21,22,25);3-4,9H,5-8,10H2,1-2H3,(H2,18,20)(H,19,23);5-6,9H,3-4,7-8,10H2,1-2H3,(H2,18,20)(H,19,23);5-7,12,21H,4,8H2,1-3H3,(H2,20,22)/t16-;17-;3*16-;12?,14-/m000000/s1
InChIKeyVLZKNVBEYNYMPV-FKJGSSLYSA-N
XLogP8.58
TPSA704.72 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds17
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002493.54
LogP ≤ 58.58
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Analyze N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-methoxypyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]morpholine-4-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]piperidine-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide;(5R)-5-[2-fluoro-5-(1,1,1-trifluorobutan-2-ylamino)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-methoxypyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]morpholine-4-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]piperidine-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide;(5R)-5-[2-fluoro-5-(1,1,1-trifluorobutan-2-ylamino)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-methoxypyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]morpholine-4-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]piperidine-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide;(5R)-5-[2-fluoro-5-(1,1,1-trifluorobutan-2-ylamino)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (CID 161335592) is N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-methoxypyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]morpholine-4-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]piperidine-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide;(5R)-5-[2-fluoro-5-(1,1,1-trifluorobutan-2-ylamino)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-methoxypyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]morpholine-4-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]piperidine-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide;(5R)-5-[2-fluoro-5-(1,1,1-trifluorobutan-2-ylamino)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-methoxypyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]morpholine-4-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]piperidine-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide;(5R)-5-[2-fluoro-5-(1,1,1-trifluorobutan-2-ylamino)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is CCC(Nc1ccc(F)c([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)c1)C(F)(F)F.CN1C(N)=N[C@](C)(c2cc(NC(=O)N3CCCC3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)N3CCCCC3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)N3CCOCC3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2Cl)CS1(=O)=O.COc1cnc(C(=O)Nc2ccc(Cl)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)n2)cn1.
What is the InChIKey of N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-methoxypyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]morpholine-4-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]piperidine-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide;(5R)-5-[2-fluoro-5-(1,1,1-trifluorobutan-2-ylamino)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is VLZKNVBEYNYMPV-FKJGSSLYSA-N. The full InChI is InChI=1S/C17H16ClF3N6O3S.C17H24FN5O3S.C16H18ClN7O4S.C16H22FN5O4S.C16H22FN5O3S.C15H20F4N4O2S/c1-16(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;1-17(11-27(25,26)22(2)15(19)21-17)13-10-12(6-7-14(13)18)20-16(24)23-8-4-3-5-9-23;1-16(8-29(26,27)24(2)15(18)23-16)13-9(17)4-5-11(21-13)22-14(25)10-6-20-12(28-3)7-19-10;1-16(10-27(24,25)21(2)14(18)20-16)12-9-11(3-4-13(12)17)19-15(23)22-5-7-26-8-6-22;1-16(10-26(24,25)21(2)14(18)20-16)12-9-11(5-6-13(12)17)19-15(23)22-7-3-4-8-22;1-4-12(15(17,18)19)21-9-5-6-11(16)10(7-9)14(2)8-26(24,25)23(3)13(20)22-14/h3-7H,8H2,1-2H3,(H2,22,26)(H,24,25,28);6-7,10H,3-5,8-9,11H2,1-2H3,(H2,19,21)(H,20,24);4-7H,8H2,1-3H3,(H2,18,23)(H,21,22,25);3-4,9H,5-8,10H2,1-2H3,(H2,18,20)(H,19,23);5-6,9H,3-4,7-8,10H2,1-2H3,(H2,18,20)(H,19,23);5-7,12,21H,4,8H2,1-3H3,(H2,20,22)/t16-;17-;3*16-;12?,14-/m000000/s1.
What are the key properties of N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-methoxypyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]morpholine-4-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]piperidine-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide;(5R)-5-[2-fluoro-5-(1,1,1-trifluorobutan-2-ylamino)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-methoxypyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]morpholine-4-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]piperidine-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide;(5R)-5-[2-fluoro-5-(1,1,1-trifluorobutan-2-ylamino)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 2493.54 g/mol, XLogP of 8.58, 17 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-methoxypyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]morpholine-4-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]piperidine-1-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]pyrrolidine-1-carboxamide;(5R)-5-[2-fluoro-5-(1,1,1-trifluorobutan-2-ylamino)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 161335592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).