N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C92H98Cl3F9N26O17S5 — CID 162103518

About N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 162103518) has the molecular formula C92H98Cl3F9N26O17S5 and a molecular weight of 2277.64 g/mol. Its IUPAC name is N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 162103518
• Molecular Formula: C92H98Cl3F9N26O17S5
• Molecular Weight: 2277.64 g/mol
• Exact Mass: 2274.51
• IUPAC Name: N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: CCN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2F)CS1(=O)=O.CCN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(OC)cn3)ccc2F)CS1(=O)=O.CCN1C(N)=N[C@](C)(c2cc(NC(=O)c3cnc(OC)cn3)ccc2F)CS1(=O)=O.CCN1C(N)=N[C@](C)(c2cc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F)CS1(=O)=O.CCN1C(N)=N[C@](C)(c2cc(NC(=O)c3ncc(Cl)cc3F)ccc2F)CS1(=O)=O
• InChI: InChI=1S/C19H19F4N5O3S.C19H22FN5O4S.C18H18Cl2FN5O3S.C18H18ClF2N5O3S.C18H21FN6O4S/c1-3-28-17(24)27-18(2,10-32(28,30)31)13-8-12(5-6-14(13)20)26-16(29)15-7-4-11(9-25-15)19(21,22)23;1-4-25-18(21)24-19(2,11-30(25,27)28)14-9-12(5-7-15(14)20)23-17(26)16-8-6-13(29-3)10-22-16;1-3-26-17(22)25-18(2,9-30(26,28)29)12-7-11(4-5-14(12)21)24-16(27)15-13(20)6-10(19)8-23-15;1-3-26-17(22)25-18(2,9-30(26,28)29)12-7-11(4-5-13(12)20)24-16(27)15-14(21)6-10(19)8-23-15;1-4-25-17(20)24-18(2,10-30(25,27)28)12-7-11(5-6-13(12)19)23-16(26)14-8-22-15(29-3)9-21-14/h4-9H,3,10H2,1-2H3,(H2,24,27)(H,26,29);5-10H,4,11H2,1-3H3,(H2,21,24)(H,23,26);2*4-8H,3,9H2,1-2H3,(H2,22,25)(H,24,27);5-9H,4,10H2,1-3H3,(H2,20,24)(H,23,26)/t18-;19-;3*18-/m00000/s1
• InChIKey: ZFEXHQFSDPZUQJ-PUVJDZOVSA-N
• XLogP: 10.87
• TPSA: 620.10 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2277.64
LogP ≤ 5	10.87
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 162103518) is N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide is CCN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2F)CS1(=O)=O.CCN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(OC)cn3)ccc2F)CS1(=O)=O.CCN1C(N)=N[C@](C)(c2cc(NC(=O)c3cnc(OC)cn3)ccc2F)CS1(=O)=O.CCN1C(N)=N[C@](C)(c2cc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F)CS1(=O)=O.CCN1C(N)=N[C@](C)(c2cc(NC(=O)c3ncc(Cl)cc3F)ccc2F)CS1(=O)=O.

What is the InChIKey of N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is ZFEXHQFSDPZUQJ-PUVJDZOVSA-N. The full InChI is InChI=1S/C19H19F4N5O3S.C19H22FN5O4S.C18H18Cl2FN5O3S.C18H18ClF2N5O3S.C18H21FN6O4S/c1-3-28-17(24)27-18(2,10-32(28,30)31)13-8-12(5-6-14(13)20)26-16(29)15-7-4-11(9-25-15)19(21,22)23;1-4-25-18(21)24-19(2,11-30(25,27)28)14-9-12(5-7-15(14)20)23-17(26)16-8-6-13(29-3)10-22-16;1-3-26-17(22)25-18(2,9-30(26,28)29)12-7-11(4-5-14(12)21)24-16(27)15-13(20)6-10(19)8-23-15;1-3-26-17(22)25-18(2,9-30(26,28)29)12-7-11(4-5-13(12)20)24-16(27)15-14(21)6-10(19)8-23-15;1-4-25-17(20)24-18(2,10-30(25,27)28)12-7-11(5-6-13(12)19)23-16(26)14-8-22-15(29-3)9-21-14/h4-9H,3,10H2,1-2H3,(H2,24,27)(H,26,29);5-10H,4,11H2,1-3H3,(H2,21,24)(H,23,26);2*4-8H,3,9H2,1-2H3,(H2,22,25)(H,24,27);5-9H,4,10H2,1-3H3,(H2,20,24)(H,23,26)/t18-;19-;3*18-/m00000/s1.

What are the key properties of N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?

N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 2277.64 g/mol, XLogP of 10.87, 22 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide;N-[3-[(5R)-3-amino-2-ethyl-5-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 162103518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).