N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-chloropyrimidine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrimidine-2-carboxamide

C86H79Cl2F19N28O16S5 — CID 160505880

About N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-chloropyrimidine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrimidine-2-carboxamide

N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-chloropyrimidine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrimidine-2-carboxamide (PubChem CID 160505880) has the molecular formula C86H79Cl2F19N28O16S5 and a molecular weight of 2352.96 g/mol. Its IUPAC name is N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-chloropyrimidine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-chloropyrimidine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrimidine-2-carboxamide
• PubChem CID: 160505880
• Molecular Formula: C86H79Cl2F19N28O16S5
• Molecular Weight: 2352.96 g/mol
• Exact Mass: 2350.39
• IUPAC Name: N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-chloropyrimidine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrimidine-2-carboxamide
• SMILES: CN1C(N)=N[C@](C)(c2cc(NC(=O)c3cnc(C(F)(F)F)cn3)cc(F)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)cc(F)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ncc(C(F)(F)F)cn3)cc(F)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ncc(Cl)cn3)cc(F)c2F)CS1(=O)=O.COc1ccc(C(=O)Nc2cc(F)c(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2)nc1
• InChI: InChI=1S/C18H15ClF5N5O3S.C18H19F2N5O4S.2C17H15F5N6O3S.C16H15ClF2N6O3S/c1-17(7-33(31,32)29(2)16(25)28-17)10-4-9(5-12(20)13(10)21)27-15(30)14-11(19)3-8(6-26-14)18(22,23)24;1-18(9-30(27,28)25(2)17(21)24-18)12-6-10(7-13(19)15(12)20)23-16(26)14-5-4-11(29-3)8-22-14;1-16(7-32(30,31)28(2)15(23)27-16)10-3-9(4-11(18)12(10)19)26-14(29)13-24-5-8(6-25-13)17(20,21)22;1-16(7-32(30,31)28(2)15(23)27-16)9-3-8(4-10(18)13(9)19)26-14(29)11-5-25-12(6-24-11)17(20,21)22;1-16(7-29(27,28)25(2)15(20)24-16)10-3-9(4-11(18)12(10)19)23-14(26)13-21-5-8(17)6-22-13/h3-6H,7H2,1-2H3,(H2,25,28)(H,27,30);4-8H,9H2,1-3H3,(H2,21,24)(H,23,26);2*3-6H,7H2,1-2H3,(H2,23,27)(H,26,29);3-6H,7H2,1-2H3,(H2,20,24)(H,23,26)/t17-;18-;3*16-/m00000/s1
• InChIKey: QSJXNTHXQFWVIX-OMLNYCKCSA-N
• XLogP: 9.64
• TPSA: 636.65 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 16
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2352.96
LogP ≤ 5	9.64
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

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]-4,5-difluorophenyl]-5-chloropyrimidine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrimidine-2-carboxamide?

The IUPAC name of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-chloropyrimidine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrimidine-2-carboxamide (CID 160505880) is N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-chloropyrimidine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrimidine-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]-4,5-difluorophenyl]-5-chloropyrimidine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrimidine-2-carboxamide?

The canonical SMILES for N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-chloropyrimidine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrimidine-2-carboxamide is CN1C(N)=N[C@](C)(c2cc(NC(=O)c3cnc(C(F)(F)F)cn3)cc(F)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)cc(F)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ncc(C(F)(F)F)cn3)cc(F)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ncc(Cl)cn3)cc(F)c2F)CS1(=O)=O.COc1ccc(C(=O)Nc2cc(F)c(F)c([C@]3(C)CS(=O)(=O)N(C)C(N)=N3)c2)nc1.

What is the InChIKey of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-chloropyrimidine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrimidine-2-carboxamide?

The InChIKey is QSJXNTHXQFWVIX-OMLNYCKCSA-N. The full InChI is InChI=1S/C18H15ClF5N5O3S.C18H19F2N5O4S.2C17H15F5N6O3S.C16H15ClF2N6O3S/c1-17(7-33(31,32)29(2)16(25)28-17)10-4-9(5-12(20)13(10)21)27-15(30)14-11(19)3-8(6-26-14)18(22,23)24;1-18(9-30(27,28)25(2)17(21)24-18)12-6-10(7-13(19)15(12)20)23-16(26)14-5-4-11(29-3)8-22-14;1-16(7-32(30,31)28(2)15(23)27-16)10-3-9(4-11(18)12(10)19)26-14(29)13-24-5-8(6-25-13)17(20,21)22;1-16(7-32(30,31)28(2)15(23)27-16)9-3-8(4-10(18)13(9)19)26-14(29)11-5-25-12(6-24-11)17(20,21)22;1-16(7-29(27,28)25(2)15(20)24-16)10-3-9(4-11(18)12(10)19)23-14(26)13-21-5-8(17)6-22-13/h3-6H,7H2,1-2H3,(H2,25,28)(H,27,30);4-8H,9H2,1-3H3,(H2,21,24)(H,23,26);2*3-6H,7H2,1-2H3,(H2,23,27)(H,26,29);3-6H,7H2,1-2H3,(H2,20,24)(H,23,26)/t17-;18-;3*16-/m00000/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]-4,5-difluorophenyl]-5-chloropyrimidine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrimidine-2-carboxamide?

N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-chloropyrimidine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrimidine-2-carboxamide has a molecular weight of 2352.96 g/mol, XLogP of 9.64, 16 rotatable bonds, 10 hydrogen bond donors, and 34 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]-4,5-difluorophenyl]-5-chloropyrimidine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-(trifluoromethyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 160505880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).