1-ethyl-3-methyl-2-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide

C23H19F3N4O2S — CID 24575798

About 1-ethyl-3-methyl-2-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide

1-ethyl-3-methyl-2-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide (PubChem CID 24575798) has the molecular formula C23H19F3N4O2S and a molecular weight of 472.49 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-3-methyl-2-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide
• PubChem CID: 24575798
• Molecular Formula: C23H19F3N4O2S
• Molecular Weight: 472.49 g/mol
• Exact Mass: 472.12
• IUPAC Name: 1-ethyl-3-methyl-2-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide
• SMILES: CCn1c(=O)c(C)nc2cc(C(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)ccc21
• InChI: InChI=1S/C23H19F3N4O2S/c1-3-30-19-8-7-15(11-18(19)28-13(2)21(30)32)20(31)29-22-27-12-17(33-22)10-14-5-4-6-16(9-14)23(24,25)26/h4-9,11-12H,3,10H2,1-2H3,(H,27,29,31)
• InChIKey: SGAAAEFLLWWPGV-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.49
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide?

The IUPAC name of 1-ethyl-3-methyl-2-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide (CID 24575798) is 1-ethyl-3-methyl-2-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide.

What is the SMILES notation for 1-ethyl-3-methyl-2-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide?

The canonical SMILES for 1-ethyl-3-methyl-2-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide is CCn1c(=O)c(C)nc2cc(C(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)ccc21.

What is the InChIKey of 1-ethyl-3-methyl-2-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide?

The InChIKey is SGAAAEFLLWWPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2S/c1-3-30-19-8-7-15(11-18(19)28-13(2)21(30)32)20(31)29-22-27-12-17(33-22)10-14-5-4-6-16(9-14)23(24,25)26/h4-9,11-12H,3,10H2,1-2H3,(H,27,29,31).

What are the key properties of 1-ethyl-3-methyl-2-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide?

1-ethyl-3-methyl-2-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide has a molecular weight of 472.49 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-methyl-2-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide is sourced from PubChem (CID 24575798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).