N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide

C17H19FN6O3S — CID 88594174

About N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide

N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide (PubChem CID 88594174) has the molecular formula C17H19FN6O3S and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide
• PubChem CID: 88594174
• Molecular Formula: C17H19FN6O3S
• Molecular Weight: 409.46 g/mol
• Exact Mass: 409.14
• IUPAC Name: N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide
• SMILES: [2H]C([2H])([2H])N1C(N)=N[C@](C)(c2cc(NC(=O)c3cnc(C)cn3)ccc2F)CS1(=O)=O
• InChI: InChI=1S/C17H19FN6O3S/c1-10-7-21-14(8-20-10)15(25)22-11-4-5-13(18)12(6-11)17(2)9-28(26,27)24(3)16(19)23-17/h4-8H,9H2,1-3H3,(H2,19,23)(H,22,25)/t17-/m0/s1/i3D3
• InChIKey: QEDBRPQZTWTMTK-JBKGLDERSA-N
• XLogP: 0.98
• TPSA: 130.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.46
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide?

The IUPAC name of N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide (CID 88594174) is N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide.

What is the SMILES notation for N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide?

The canonical SMILES for N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide is [2H]C([2H])([2H])N1C(N)=N[C@](C)(c2cc(NC(=O)c3cnc(C)cn3)ccc2F)CS1(=O)=O.

What is the InChIKey of N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide?

The InChIKey is QEDBRPQZTWTMTK-JBKGLDERSA-N. The full InChI is InChI=1S/C17H19FN6O3S/c1-10-7-21-14(8-20-10)15(25)22-11-4-5-13(18)12(6-11)17(2)9-28(26,27)24(3)16(19)23-17/h4-8H,9H2,1-3H3,(H2,19,23)(H,22,25)/t17-/m0/s1/i3D3.

What are the key properties of N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide?

N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 88594174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).