2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide

C21H17F3N4O3S — CID 71596064

About 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide

2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide (PubChem CID 71596064) has the molecular formula C21H17F3N4O3S and a molecular weight of 462.45 g/mol. Its IUPAC name is 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide
• PubChem CID: 71596064
• Molecular Formula: C21H17F3N4O3S
• Molecular Weight: 462.45 g/mol
• Exact Mass: 462.10
• IUPAC Name: 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide
• SMILES: Cc1nc2ccccc2n(CC(=O)NN2C(=O)CSC2c2ccc(C(F)(F)F)cc2)c1=O
• InChI: InChI=1S/C21H17F3N4O3S/c1-12-19(31)27(16-5-3-2-4-15(16)25-12)10-17(29)26-28-18(30)11-32-20(28)13-6-8-14(9-7-13)21(22,23)24/h2-9,20H,10-11H2,1H3,(H,26,29)
• InChIKey: FGOGWMXQVNEFRV-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.45
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide?

The IUPAC name of 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide (CID 71596064) is 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide.

What is the SMILES notation for 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide?

The canonical SMILES for 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide is Cc1nc2ccccc2n(CC(=O)NN2C(=O)CSC2c2ccc(C(F)(F)F)cc2)c1=O.

What is the InChIKey of 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide?

The InChIKey is FGOGWMXQVNEFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3S/c1-12-19(31)27(16-5-3-2-4-15(16)25-12)10-17(29)26-28-18(30)11-32-20(28)13-6-8-14(9-7-13)21(22,23)24/h2-9,20H,10-11H2,1H3,(H,26,29).

What are the key properties of 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide?

2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 462.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methyl-2-oxoquinoxalin-1-yl)-N-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 71596064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).