N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-4-chlorobenzamide;2-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)ethanone;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C82H90ClF4N29O16S5 — CID 158966569

About N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-4-chlorobenzamide;2-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)ethanone;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-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]-4-chlorobenzamide;2-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)ethanone;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 158966569) has the molecular formula C82H90ClF4N29O16S5 and a molecular weight of 2009.59 g/mol. Its IUPAC name is N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-4-chlorobenzamide;2-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)ethanone;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-4-chlorobenzamide;2-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)ethanone;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 158966569
• Molecular Formula: C82H90ClF4N29O16S5
• Molecular Weight: 2009.59 g/mol
• Exact Mass: 2007.53
• IUPAC Name: N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-4-chlorobenzamide;2-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)ethanone;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: CN1C(N)=N[C@](C)(c2cccc(NC(=O)c3ccc(C(F)(F)F)cn3)n2)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cccc(NC(=O)c3ccc(Cl)cc3)n2)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cncc(CC(=O)c3ccc(F)cn3)c2)CS1(=O)=O.Cc1cnc(C(=O)Nc2cccc([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)n2)cn1.Cc1nc(C(=O)Nc2cncc([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2)co1
• InChI: InChI=1S/C17H18ClN5O3S.C17H17F3N6O3S.C17H18FN5O3S.C16H19N7O3S.C15H18N6O4S/c1-17(10-27(25,26)23(2)16(19)22-17)13-4-3-5-14(20-13)21-15(24)11-6-8-12(18)9-7-11;1-16(9-30(28,29)26(2)15(21)25-16)12-4-3-5-13(23-12)24-14(27)11-7-6-10(8-22-11)17(18,19)20;1-17(10-27(25,26)23(2)16(19)22-17)12-5-11(7-20-8-12)6-15(24)14-4-3-13(18)9-21-14;1-10-7-19-11(8-18-10)14(24)21-13-6-4-5-12(20-13)16(2)9-27(25,26)23(3)15(17)22-16;1-9-18-12(7-25-9)13(22)19-11-4-10(5-17-6-11)15(2)8-26(23,24)21(3)14(16)20-15/h3-9H,10H2,1-2H3,(H2,19,22)(H,20,21,24);3-8H,9H2,1-2H3,(H2,21,25)(H,23,24,27);3-5,7-9H,6,10H2,1-2H3,(H2,19,22);4-8H,9H2,1-3H3,(H2,17,22)(H,20,21,24);4-7H,8H2,1-3H3,(H2,16,20)(H,19,22)/t17-;16-;17-;16-;15-/m00000/s1
• InChIKey: JNGXDBXZTABWPK-SWUGJKGFSA-N
• XLogP: 4.86
• TPSA: 654.31 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 16
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2009.59
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

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]-2-pyridinyl]-4-chlorobenzamide;2-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)ethanone;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-4-chlorobenzamide;2-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)ethanone;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 158966569) is N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-4-chlorobenzamide;2-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)ethanone;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-4-chlorobenzamide;2-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)ethanone;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-4-chlorobenzamide;2-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)ethanone;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide is CN1C(N)=N[C@](C)(c2cccc(NC(=O)c3ccc(C(F)(F)F)cn3)n2)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cccc(NC(=O)c3ccc(Cl)cc3)n2)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cncc(CC(=O)c3ccc(F)cn3)c2)CS1(=O)=O.Cc1cnc(C(=O)Nc2cccc([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)n2)cn1.Cc1nc(C(=O)Nc2cncc([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2)co1.

What is the InChIKey of N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-4-chlorobenzamide;2-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)ethanone;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is JNGXDBXZTABWPK-SWUGJKGFSA-N. The full InChI is InChI=1S/C17H18ClN5O3S.C17H17F3N6O3S.C17H18FN5O3S.C16H19N7O3S.C15H18N6O4S/c1-17(10-27(25,26)23(2)16(19)22-17)13-4-3-5-14(20-13)21-15(24)11-6-8-12(18)9-7-11;1-16(9-30(28,29)26(2)15(21)25-16)12-4-3-5-13(23-12)24-14(27)11-7-6-10(8-22-11)17(18,19)20;1-17(10-27(25,26)23(2)16(19)22-17)12-5-11(7-20-8-12)6-15(24)14-4-3-13(18)9-21-14;1-10-7-19-11(8-18-10)14(24)21-13-6-4-5-12(20-13)16(2)9-27(25,26)23(3)15(17)22-16;1-9-18-12(7-25-9)13(22)19-11-4-10(5-17-6-11)15(2)8-26(23,24)21(3)14(16)20-15/h3-9H,10H2,1-2H3,(H2,19,22)(H,20,21,24);3-8H,9H2,1-2H3,(H2,21,25)(H,23,24,27);3-5,7-9H,6,10H2,1-2H3,(H2,19,22);4-8H,9H2,1-3H3,(H2,17,22)(H,20,21,24);4-7H,8H2,1-3H3,(H2,16,20)(H,19,22)/t17-;16-;17-;16-;15-/m00000/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]-2-pyridinyl]-4-chlorobenzamide;2-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)ethanone;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-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]-4-chlorobenzamide;2-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)ethanone;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 2009.59 g/mol, XLogP of 4.86, 16 rotatable bonds, 9 hydrogen bond donors, and 36 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]-2-pyridinyl]-4-chlorobenzamide;2-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)ethanone;N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-3-pyridinyl]-2-methyl-1,3-oxazole-4-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-methylpyrazine-2-carboxamide;N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 158966569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).