N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4,5-difluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyrazine-2-carboxamide

C23H23F3N6O3S — CID 126488412

About N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4,5-difluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyrazine-2-carboxamide

N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4,5-difluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyrazine-2-carboxamide (PubChem CID 126488412) has the molecular formula C23H23F3N6O3S and a molecular weight of 520.54 g/mol. Its IUPAC name is N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4,5-difluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4,5-difluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyrazine-2-carboxamide
• PubChem CID: 126488412
• Molecular Formula: C23H23F3N6O3S
• Molecular Weight: 520.54 g/mol
• Exact Mass: 520.15
• IUPAC Name: N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4,5-difluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyrazine-2-carboxamide
• SMILES: Cc1nc(OCc2ncco2)cnc1C(=O)Nc1cc(F)c(F)c([C@]2(C)C[C@](C)(CF)SC(N)=N2)c1
• InChI: InChI=1S/C23H23F3N6O3S/c1-12-19(29-8-16(30-12)35-9-17-28-4-5-34-17)20(33)31-13-6-14(18(26)15(25)7-13)23(3)10-22(2,11-24)36-21(27)32-23/h4-8H,9-11H2,1-3H3,(H2,27,32)(H,31,33)/t22-,23+/m1/s1
• InChIKey: YTDRJXMHWZDEGS-PKTZIBPZSA-N
• XLogP: 4.28
• TPSA: 128.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.54
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4,5-difluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyrazine-2-carboxamide?

The IUPAC name of N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4,5-difluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyrazine-2-carboxamide (CID 126488412) is N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4,5-difluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyrazine-2-carboxamide.

What is the SMILES notation for N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4,5-difluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyrazine-2-carboxamide?

The canonical SMILES for N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4,5-difluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyrazine-2-carboxamide is Cc1nc(OCc2ncco2)cnc1C(=O)Nc1cc(F)c(F)c([C@]2(C)C[C@](C)(CF)SC(N)=N2)c1.

What is the InChIKey of N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4,5-difluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyrazine-2-carboxamide?

The InChIKey is YTDRJXMHWZDEGS-PKTZIBPZSA-N. The full InChI is InChI=1S/C23H23F3N6O3S/c1-12-19(29-8-16(30-12)35-9-17-28-4-5-34-17)20(33)31-13-6-14(18(26)15(25)7-13)23(3)10-22(2,11-24)36-21(27)32-23/h4-8H,9-11H2,1-3H3,(H2,27,32)(H,31,33)/t22-,23+/m1/s1.

What are the key properties of N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4,5-difluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyrazine-2-carboxamide?

N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4,5-difluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyrazine-2-carboxamide has a molecular weight of 520.54 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4,5-difluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 126488412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).