N-(2-bromophenyl)-2-[3-ethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide

C20H17BrF3N3O2S — CID 21368655

About N-(2-bromophenyl)-2-[3-ethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide

N-(2-bromophenyl)-2-[3-ethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 21368655) has the molecular formula C20H17BrF3N3O2S and a molecular weight of 500.34 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[3-ethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-bromophenyl)-2-[3-ethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 21368655
• Molecular Formula: C20H17BrF3N3O2S
• Molecular Weight: 500.34 g/mol
• Exact Mass: 499.02
• IUPAC Name: N-(2-bromophenyl)-2-[3-ethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
• SMILES: CCN1C(=O)C(CC(=O)Nc2ccccc2Br)S/C1=N\c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C20H17BrF3N3O2S/c1-2-27-18(29)16(11-17(28)26-15-9-4-3-8-14(15)21)30-19(27)25-13-7-5-6-12(10-13)20(22,23)24/h3-10,16H,2,11H2,1H3,(H,26,28)/b25-19-
• InChIKey: OSXZQBBFVGPAGF-PLRJNAJWSA-N
• XLogP: 5.45
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.34
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[3-ethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(2-bromophenyl)-2-[3-ethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide (CID 21368655) is N-(2-bromophenyl)-2-[3-ethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(2-bromophenyl)-2-[3-ethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(2-bromophenyl)-2-[3-ethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide is CCN1C(=O)C(CC(=O)Nc2ccccc2Br)S/C1=N\c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-(2-bromophenyl)-2-[3-ethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is OSXZQBBFVGPAGF-PLRJNAJWSA-N. The full InChI is InChI=1S/C20H17BrF3N3O2S/c1-2-27-18(29)16(11-17(28)26-15-9-4-3-8-14(15)21)30-19(27)25-13-7-5-6-12(10-13)20(22,23)24/h3-10,16H,2,11H2,1H3,(H,26,28)/b25-19-.

What are the key properties of N-(2-bromophenyl)-2-[3-ethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide?

N-(2-bromophenyl)-2-[3-ethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 500.34 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bromophenyl)-2-[3-ethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 21368655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).