N-[3-[(4S,5S,6S)-2-amino-6-(methoxymethyl)-4,5,6-trimethyl-5H-1,3-thiazin-4-yl]-4-fluoro-5-methylphenyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazine-2-carboxamide

C25H30FN7O4S — CID 126488636

About N-[3-[(4S,5S,6S)-2-amino-6-(methoxymethyl)-4,5,6-trimethyl-5H-1,3-thiazin-4-yl]-4-fluoro-5-methylphenyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazine-2-carboxamide

N-[3-[(4S,5S,6S)-2-amino-6-(methoxymethyl)-4,5,6-trimethyl-5H-1,3-thiazin-4-yl]-4-fluoro-5-methylphenyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazine-2-carboxamide (PubChem CID 126488636) has the molecular formula C25H30FN7O4S and a molecular weight of 543.63 g/mol. Its IUPAC name is N-[3-[(4S,5S,6S)-2-amino-6-(methoxymethyl)-4,5,6-trimethyl-5H-1,3-thiazin-4-yl]-4-fluoro-5-methylphenyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(4S,5S,6S)-2-amino-6-(methoxymethyl)-4,5,6-trimethyl-5H-1,3-thiazin-4-yl]-4-fluoro-5-methylphenyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazine-2-carboxamide
• PubChem CID: 126488636
• Molecular Formula: C25H30FN7O4S
• Molecular Weight: 543.63 g/mol
• Exact Mass: 543.21
• IUPAC Name: N-[3-[(4S,5S,6S)-2-amino-6-(methoxymethyl)-4,5,6-trimethyl-5H-1,3-thiazin-4-yl]-4-fluoro-5-methylphenyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazine-2-carboxamide
• SMILES: COC[C@@]1(C)SC(N)=N[C@](C)(c2cc(NC(=O)c3cnc(OCc4nc(C)no4)cn3)cc(C)c2F)[C@@H]1C
• InChI: InChI=1S/C25H30FN7O4S/c1-13-7-16(8-17(21(13)26)25(5)14(2)24(4,12-35-6)38-23(27)32-25)31-22(34)18-9-29-19(10-28-18)36-11-20-30-15(3)33-37-20/h7-10,14H,11-12H2,1-6H3,(H2,27,32)(H,31,34)/t14-,24-,25+/m1/s1
• InChIKey: HWWMUIUXMOEJRG-ZIHYYHESSA-N
• XLogP: 3.76
• TPSA: 150.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.63
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S,5S,6S)-2-amino-6-(methoxymethyl)-4,5,6-trimethyl-5H-1,3-thiazin-4-yl]-4-fluoro-5-methylphenyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazine-2-carboxamide?

The IUPAC name of N-[3-[(4S,5S,6S)-2-amino-6-(methoxymethyl)-4,5,6-trimethyl-5H-1,3-thiazin-4-yl]-4-fluoro-5-methylphenyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazine-2-carboxamide (CID 126488636) is N-[3-[(4S,5S,6S)-2-amino-6-(methoxymethyl)-4,5,6-trimethyl-5H-1,3-thiazin-4-yl]-4-fluoro-5-methylphenyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazine-2-carboxamide.

What is the SMILES notation for N-[3-[(4S,5S,6S)-2-amino-6-(methoxymethyl)-4,5,6-trimethyl-5H-1,3-thiazin-4-yl]-4-fluoro-5-methylphenyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazine-2-carboxamide?

The canonical SMILES for N-[3-[(4S,5S,6S)-2-amino-6-(methoxymethyl)-4,5,6-trimethyl-5H-1,3-thiazin-4-yl]-4-fluoro-5-methylphenyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazine-2-carboxamide is COC[C@@]1(C)SC(N)=N[C@](C)(c2cc(NC(=O)c3cnc(OCc4nc(C)no4)cn3)cc(C)c2F)[C@@H]1C.

What is the InChIKey of N-[3-[(4S,5S,6S)-2-amino-6-(methoxymethyl)-4,5,6-trimethyl-5H-1,3-thiazin-4-yl]-4-fluoro-5-methylphenyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazine-2-carboxamide?

The InChIKey is HWWMUIUXMOEJRG-ZIHYYHESSA-N. The full InChI is InChI=1S/C25H30FN7O4S/c1-13-7-16(8-17(21(13)26)25(5)14(2)24(4,12-35-6)38-23(27)32-25)31-22(34)18-9-29-19(10-28-18)36-11-20-30-15(3)33-37-20/h7-10,14H,11-12H2,1-6H3,(H2,27,32)(H,31,34)/t14-,24-,25+/m1/s1.

What are the key properties of N-[3-[(4S,5S,6S)-2-amino-6-(methoxymethyl)-4,5,6-trimethyl-5H-1,3-thiazin-4-yl]-4-fluoro-5-methylphenyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazine-2-carboxamide?

N-[3-[(4S,5S,6S)-2-amino-6-(methoxymethyl)-4,5,6-trimethyl-5H-1,3-thiazin-4-yl]-4-fluoro-5-methylphenyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazine-2-carboxamide has a molecular weight of 543.63 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(4S,5S,6S)-2-amino-6-(methoxymethyl)-4,5,6-trimethyl-5H-1,3-thiazin-4-yl]-4-fluoro-5-methylphenyl]-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazine-2-carboxamide is sourced from PubChem (CID 126488636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).