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

C24H25F2N5O3S — CID 130435365

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

N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4-fluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyridine-2-carboxamide (PubChem CID 130435365) has the molecular formula C24H25F2N5O3S and a molecular weight of 501.56 g/mol. Its IUPAC name is N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4-fluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4-fluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyridine-2-carboxamide
• PubChem CID: 130435365
• Molecular Formula: C24H25F2N5O3S
• Molecular Weight: 501.56 g/mol
• Exact Mass: 501.16
• IUPAC Name: N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4-fluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyridine-2-carboxamide
• SMILES: Cc1cc(OCc2ncco2)cnc1C(=O)Nc1ccc(F)c([C@]2(C)C[C@](C)(CF)SC(N)=N2)c1
• InChI: InChI=1S/C24H25F2N5O3S/c1-14-8-16(34-11-19-28-6-7-33-19)10-29-20(14)21(32)30-15-4-5-18(26)17(9-15)24(3)12-23(2,13-25)35-22(27)31-24/h4-10H,11-13H2,1-3H3,(H2,27,31)(H,30,32)/t23-,24+/m1/s1
• InChIKey: ORVJXMXFOQTIDK-RPWUZVMVSA-N
• XLogP: 4.74
• TPSA: 115.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.56
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-fluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyridine-2-carboxamide?

The IUPAC name of N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4-fluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyridine-2-carboxamide (CID 130435365) is N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4-fluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyridine-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-fluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyridine-2-carboxamide?

The canonical SMILES for N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4-fluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyridine-2-carboxamide is Cc1cc(OCc2ncco2)cnc1C(=O)Nc1ccc(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-fluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyridine-2-carboxamide?

The InChIKey is ORVJXMXFOQTIDK-RPWUZVMVSA-N. The full InChI is InChI=1S/C24H25F2N5O3S/c1-14-8-16(34-11-19-28-6-7-33-19)10-29-20(14)21(32)30-15-4-5-18(26)17(9-15)24(3)12-23(2,13-25)35-22(27)31-24/h4-10H,11-13H2,1-3H3,(H2,27,31)(H,30,32)/t23-,24+/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-fluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyridine-2-carboxamide?

N-[3-[(4S,6R)-2-amino-6-(fluoromethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4-fluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyridine-2-carboxamide has a molecular weight of 501.56 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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-fluorophenyl]-3-methyl-5-(1,3-oxazol-2-ylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 130435365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).