3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]benzamide;3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;(5R)-5-[5-[(3-chlorophenoxy)methyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluorophenoxy)methyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluoro-2-pyridinyl)oxymethyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

C90H91ClF13N19O15S5 — CID 158957794

About 3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]benzamide;3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;(5R)-5-[5-[(3-chlorophenoxy)methyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluorophenoxy)methyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluoro-2-pyridinyl)oxymethyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]benzamide;3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;(5R)-5-[5-[(3-chlorophenoxy)methyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluorophenoxy)methyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluoro-2-pyridinyl)oxymethyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 158957794) has the molecular formula C90H91ClF13N19O15S5 and a molecular weight of 2121.60 g/mol. Its IUPAC name is 3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]benzamide;3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;(5R)-5-[5-[(3-chlorophenoxy)methyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluorophenoxy)methyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluoro-2-pyridinyl)oxymethyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

• Compound Name: 3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]benzamide;3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;(5R)-5-[5-[(3-chlorophenoxy)methyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluorophenoxy)methyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluoro-2-pyridinyl)oxymethyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
• PubChem CID: 158957794
• Molecular Formula: C90H91ClF13N19O15S5
• Molecular Weight: 2121.60 g/mol
• Exact Mass: 2119.50
• IUPAC Name: 3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]benzamide;3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;(5R)-5-[5-[(3-chlorophenoxy)methyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluorophenoxy)methyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluoro-2-pyridinyl)oxymethyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
• SMILES: CN1C(N)=N[C@](C)(c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(C(=O)Nc3ccc(C(F)(F)F)cn3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(COc3cccc(Cl)c3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(COc3cccc(F)c3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(COc3ncccc3F)ccc2F)CS1(=O)=O
• InChI: InChI=1S/C19H18F4N4O3S.C18H19ClFN3O3S.C18H17F4N5O3S.C18H19F2N3O3S.C17H18F2N4O3S/c1-18(10-31(29,30)27(2)17(24)26-18)14-9-11(3-8-15(14)20)16(28)25-13-6-4-12(5-7-13)19(21,22)23;1-18(11-27(24,25)23(2)17(21)22-18)15-8-12(6-7-16(15)20)10-26-14-5-3-4-13(19)9-14;1-17(9-31(29,30)27(2)16(23)26-17)12-7-10(3-5-13(12)19)15(28)25-14-6-4-11(8-24-14)18(20,21)22;1-18(11-27(24,25)23(2)17(21)22-18)15-8-12(6-7-16(15)20)10-26-14-5-3-4-13(19)9-14;1-17(10-27(24,25)23(2)16(20)22-17)12-8-11(5-6-13(12)18)9-26-15-14(19)4-3-7-21-15/h3-9H,10H2,1-2H3,(H2,24,26)(H,25,28);3-9H,10-11H2,1-2H3,(H2,21,22);3-8H,9H2,1-2H3,(H2,23,26)(H,24,25,28);3-9H,10-11H2,1-2H3,(H2,21,22);3-8H,9-10H2,1-2H3,(H2,20,22)/t2*18-;17-;18-;17-/m00000/s1
• InChIKey: JMFPPMCMYFPGOE-VUASCZABSA-N
• XLogP: 12.15
• TPSA: 490.47 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2121.60
LogP ≤ 5	12.15
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]benzamide;3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;(5R)-5-[5-[(3-chlorophenoxy)methyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluorophenoxy)methyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluoro-2-pyridinyl)oxymethyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?

The IUPAC name of 3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]benzamide;3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;(5R)-5-[5-[(3-chlorophenoxy)methyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluorophenoxy)methyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluoro-2-pyridinyl)oxymethyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (CID 158957794) is 3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]benzamide;3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;(5R)-5-[5-[(3-chlorophenoxy)methyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluorophenoxy)methyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluoro-2-pyridinyl)oxymethyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.

What is the SMILES notation for 3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]benzamide;3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;(5R)-5-[5-[(3-chlorophenoxy)methyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluorophenoxy)methyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluoro-2-pyridinyl)oxymethyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?

The canonical SMILES for 3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]benzamide;3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;(5R)-5-[5-[(3-chlorophenoxy)methyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluorophenoxy)methyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluoro-2-pyridinyl)oxymethyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is CN1C(N)=N[C@](C)(c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(C(=O)Nc3ccc(C(F)(F)F)cn3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(COc3cccc(Cl)c3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(COc3cccc(F)c3)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(COc3ncccc3F)ccc2F)CS1(=O)=O.

What is the InChIKey of 3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]benzamide;3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;(5R)-5-[5-[(3-chlorophenoxy)methyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluorophenoxy)methyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluoro-2-pyridinyl)oxymethyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?

The InChIKey is JMFPPMCMYFPGOE-VUASCZABSA-N. The full InChI is InChI=1S/C19H18F4N4O3S.C18H19ClFN3O3S.C18H17F4N5O3S.C18H19F2N3O3S.C17H18F2N4O3S/c1-18(10-31(29,30)27(2)17(24)26-18)14-9-11(3-8-15(14)20)16(28)25-13-6-4-12(5-7-13)19(21,22)23;1-18(11-27(24,25)23(2)17(21)22-18)15-8-12(6-7-16(15)20)10-26-14-5-3-4-13(19)9-14;1-17(9-31(29,30)27(2)16(23)26-17)12-7-10(3-5-13(12)19)15(28)25-14-6-4-11(8-24-14)18(20,21)22;1-18(11-27(24,25)23(2)17(21)22-18)15-8-12(6-7-16(15)20)10-26-14-5-3-4-13(19)9-14;1-17(10-27(24,25)23(2)16(20)22-17)12-8-11(5-6-13(12)18)9-26-15-14(19)4-3-7-21-15/h3-9H,10H2,1-2H3,(H2,24,26)(H,25,28);3-9H,10-11H2,1-2H3,(H2,21,22);3-8H,9H2,1-2H3,(H2,23,26)(H,24,25,28);3-9H,10-11H2,1-2H3,(H2,21,22);3-8H,9-10H2,1-2H3,(H2,20,22)/t2*18-;17-;18-;17-/m00000/s1.

What are the key properties of 3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]benzamide;3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;(5R)-5-[5-[(3-chlorophenoxy)methyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluorophenoxy)methyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluoro-2-pyridinyl)oxymethyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?

3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]benzamide;3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;(5R)-5-[5-[(3-chlorophenoxy)methyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluorophenoxy)methyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluoro-2-pyridinyl)oxymethyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 2121.60 g/mol, XLogP of 12.15, 18 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]benzamide;3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide;(5R)-5-[5-[(3-chlorophenoxy)methyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluorophenoxy)methyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(3-fluoro-2-pyridinyl)oxymethyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 158957794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).