N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloro-3-fluoropyridine-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-(cyclopropylmethoxy)pyridine-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-chloro-3-fluoropyridine-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-chloropyrimidine-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-(trifluoromethyl)pyrazine-2-carboxamide

C86H80Cl3F16N29O16S5 — CID 159288880

About N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloro-3-fluoropyridine-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-(cyclopropylmethoxy)pyridine-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-chloro-3-fluoropyridine-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-chloropyrimidine-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-(trifluoromethyl)pyrazine-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-chloro-3-fluoropyridine-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-(cyclopropylmethoxy)pyridine-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-chloro-3-fluoropyridine-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-chloropyrimidine-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-(trifluoromethyl)pyrazine-2-carboxamide (PubChem CID 159288880) has the molecular formula C86H80Cl3F16N29O16S5 and a molecular weight of 2346.43 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-fluoro-2-pyridinyl]-5-chloro-3-fluoropyridine-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-(cyclopropylmethoxy)pyridine-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-chloro-3-fluoropyridine-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-chloropyrimidine-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-(trifluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloro-3-fluoropyridine-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-(cyclopropylmethoxy)pyridine-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-chloro-3-fluoropyridine-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-chloropyrimidine-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-(trifluoromethyl)pyrazine-2-carboxamide
• PubChem CID: 159288880
• Molecular Formula: C86H80Cl3F16N29O16S5
• Molecular Weight: 2346.43 g/mol
• Exact Mass: 2343.38
• IUPAC Name: N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloro-3-fluoropyridine-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-(cyclopropylmethoxy)pyridine-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-chloro-3-fluoropyridine-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-chloropyrimidine-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-(trifluoromethyl)pyrazine-2-carboxamide
• SMILES: CN1C(N)=N[C@](C)(c2c(F)c(F)cc(NC(=O)c3cnc(C(F)(F)F)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2c(F)c(F)cc(NC(=O)c3ncc(Cl)cc3F)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2c(F)c(F)cc(NC(=O)c3ncc(Cl)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(OCC4CC4)cn3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ncc(Cl)cc3F)ccc2F)CS1(=O)=O
• InChI: InChI=1S/C20H23FN6O4S.C17H14ClF4N5O3S.C17H14F6N6O3S.C16H14ClF3N6O3S.C16H15ClF2N6O3S/c1-20(11-32(29,30)27(2)19(22)26-20)17-14(21)6-8-16(24-17)25-18(28)15-7-5-13(9-23-15)31-10-12-3-4-12;1-17(6-31(29,30)27(2)16(23)26-17)11-12(21)8(19)4-10(13(11)22)25-15(28)14-9(20)3-7(18)5-24-14;1-16(6-33(31,32)29(2)15(24)28-16)11-12(19)7(18)3-8(13(11)20)27-14(30)9-4-26-10(5-25-9)17(21,22)23;1-16(6-30(28,29)26(2)15(21)25-16)10-11(19)8(18)3-9(12(10)20)24-14(27)13-22-4-7(17)5-23-13;1-16(7-29(27,28)25(2)15(20)24-16)13-9(18)3-4-11(22-13)23-14(26)12-10(19)5-8(17)6-21-12/h5-9,12H,3-4,10-11H2,1-2H3,(H2,22,26)(H,24,25,28);3-5H,6H2,1-2H3,(H2,23,26)(H,25,28);3-5H,6H2,1-2H3,(H2,24,28)(H,27,30);3-5H,6H2,1-2H3,(H2,21,25)(H,24,27);3-6H,7H2,1-2H3,(H2,20,24)(H,22,23,26)/t20-;17-;3*16-/m00000/s1
• InChIKey: KZVZAIAIESOOPS-NNQZYTBPSA-N
• XLogP: 8.85
• TPSA: 649.54 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 18
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2346.43
LogP ≤ 5	8.85
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

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-fluoro-2-pyridinyl]-5-chloro-3-fluoropyridine-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-(cyclopropylmethoxy)pyridine-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-chloro-3-fluoropyridine-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-chloropyrimidine-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-(trifluoromethyl)pyrazine-2-carboxamide?

The IUPAC name of N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloro-3-fluoropyridine-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-(cyclopropylmethoxy)pyridine-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-chloro-3-fluoropyridine-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-chloropyrimidine-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-(trifluoromethyl)pyrazine-2-carboxamide (CID 159288880) is N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloro-3-fluoropyridine-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-(cyclopropylmethoxy)pyridine-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-chloro-3-fluoropyridine-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-chloropyrimidine-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-(trifluoromethyl)pyrazine-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]-5-fluoro-2-pyridinyl]-5-chloro-3-fluoropyridine-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-(cyclopropylmethoxy)pyridine-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-chloro-3-fluoropyridine-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-chloropyrimidine-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-(trifluoromethyl)pyrazine-2-carboxamide?

The canonical SMILES for N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-fluoro-2-pyridinyl]-5-chloro-3-fluoropyridine-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-(cyclopropylmethoxy)pyridine-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-chloro-3-fluoropyridine-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-chloropyrimidine-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-(trifluoromethyl)pyrazine-2-carboxamide is CN1C(N)=N[C@](C)(c2c(F)c(F)cc(NC(=O)c3cnc(C(F)(F)F)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2c(F)c(F)cc(NC(=O)c3ncc(Cl)cc3F)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2c(F)c(F)cc(NC(=O)c3ncc(Cl)cn3)c2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(OCC4CC4)cn3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ncc(Cl)cc3F)ccc2F)CS1(=O)=O.

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

The InChIKey is KZVZAIAIESOOPS-NNQZYTBPSA-N. The full InChI is InChI=1S/C20H23FN6O4S.C17H14ClF4N5O3S.C17H14F6N6O3S.C16H14ClF3N6O3S.C16H15ClF2N6O3S/c1-20(11-32(29,30)27(2)19(22)26-20)17-14(21)6-8-16(24-17)25-18(28)15-7-5-13(9-23-15)31-10-12-3-4-12;1-17(6-31(29,30)27(2)16(23)26-17)11-12(21)8(19)4-10(13(11)22)25-15(28)14-9(20)3-7(18)5-24-14;1-16(6-33(31,32)29(2)15(24)28-16)11-12(19)7(18)3-8(13(11)20)27-14(30)9-4-26-10(5-25-9)17(21,22)23;1-16(6-30(28,29)26(2)15(21)25-16)10-11(19)8(18)3-9(12(10)20)24-14(27)13-22-4-7(17)5-23-13;1-16(7-29(27,28)25(2)15(20)24-16)13-9(18)3-4-11(22-13)23-14(26)12-10(19)5-8(17)6-21-12/h5-9,12H,3-4,10-11H2,1-2H3,(H2,22,26)(H,24,25,28);3-5H,6H2,1-2H3,(H2,23,26)(H,25,28);3-5H,6H2,1-2H3,(H2,24,28)(H,27,30);3-5H,6H2,1-2H3,(H2,21,25)(H,24,27);3-6H,7H2,1-2H3,(H2,20,24)(H,22,23,26)/t20-;17-;3*16-/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]-5-fluoro-2-pyridinyl]-5-chloro-3-fluoropyridine-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-(cyclopropylmethoxy)pyridine-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-chloro-3-fluoropyridine-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-chloropyrimidine-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-(trifluoromethyl)pyrazine-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-chloro-3-fluoropyridine-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-(cyclopropylmethoxy)pyridine-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-chloro-3-fluoropyridine-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-chloropyrimidine-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-(trifluoromethyl)pyrazine-2-carboxamide has a molecular weight of 2346.43 g/mol, XLogP of 8.85, 18 rotatable bonds, 10 hydrogen bond donors, and 35 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-fluoro-2-pyridinyl]-5-chloro-3-fluoropyridine-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-(cyclopropylmethoxy)pyridine-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-chloro-3-fluoropyridine-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-chloropyrimidine-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-(trifluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 159288880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).