N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide

C24H24F4N4O2S — CID 59250516

About N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide

N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 59250516) has the molecular formula C24H24F4N4O2S and a molecular weight of 508.54 g/mol. Its IUPAC name is N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
• PubChem CID: 59250516
• Molecular Formula: C24H24F4N4O2S
• Molecular Weight: 508.54 g/mol
• Exact Mass: 508.16
• IUPAC Name: N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
• SMILES: CC1(c2cc(NC(=O)C3CC(=O)N(Cc4ccc(C(F)(F)F)cc4)C3)ccc2F)CCSC(N)=N1
• InChI: InChI=1S/C24H24F4N4O2S/c1-23(8-9-35-22(29)31-23)18-11-17(6-7-19(18)25)30-21(34)15-10-20(33)32(13-15)12-14-2-4-16(5-3-14)24(26,27)28/h2-7,11,15H,8-10,12-13H2,1H3,(H2,29,31)(H,30,34)
• InChIKey: FRIPEMPRJYSDLM-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 87.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.54
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?

The IUPAC name of N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 59250516) is N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?

The canonical SMILES for N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is CC1(c2cc(NC(=O)C3CC(=O)N(Cc4ccc(C(F)(F)F)cc4)C3)ccc2F)CCSC(N)=N1.

What is the InChIKey of N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?

The InChIKey is FRIPEMPRJYSDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O2S/c1-23(8-9-35-22(29)31-23)18-11-17(6-7-19(18)25)30-21(34)15-10-20(33)32(13-15)12-14-2-4-16(5-3-14)24(26,27)28/h2-7,11,15H,8-10,12-13H2,1H3,(H2,29,31)(H,30,34).

What are the key properties of N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?

N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 508.54 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 59250516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).