2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide

C19H16Br2FN3O2S — CID 21368867

About 2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide

2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 21368867) has the molecular formula C19H16Br2FN3O2S and a molecular weight of 529.23 g/mol. Its IUPAC name is 2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
• PubChem CID: 21368867
• Molecular Formula: C19H16Br2FN3O2S
• Molecular Weight: 529.23 g/mol
• Exact Mass: 526.93
• IUPAC Name: 2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
• SMILES: CCN1C(=O)C(CC(=O)Nc2ccccc2F)S/C1=N\c1ccc(Br)cc1Br
• InChI: InChI=1S/C19H16Br2FN3O2S/c1-2-25-18(27)16(10-17(26)23-15-6-4-3-5-13(15)22)28-19(25)24-14-8-7-11(20)9-12(14)21/h3-9,16H,2,10H2,1H3,(H,23,26)/b24-19-
• InChIKey: BTRFBMDJSSNNEQ-CLCOLTQESA-N
• XLogP: 5.33
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.23
LogP ≤ 5	5.33
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 2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?

The IUPAC name of 2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (CID 21368867) is 2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.

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

The canonical SMILES for 2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is CCN1C(=O)C(CC(=O)Nc2ccccc2F)S/C1=N\c1ccc(Br)cc1Br.

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

The InChIKey is BTRFBMDJSSNNEQ-CLCOLTQESA-N. The full InChI is InChI=1S/C19H16Br2FN3O2S/c1-2-25-18(27)16(10-17(26)23-15-6-4-3-5-13(15)22)28-19(25)24-14-8-7-11(20)9-12(14)21/h3-9,16H,2,10H2,1H3,(H,23,26)/b24-19-.

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

2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 529.23 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,4-dibromophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 21368867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).