2-[2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide

C19H15FN4O2S2 — CID 3151574

About 2-[2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide

2-[2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 3151574) has the molecular formula C19H15FN4O2S2 and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-[2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
• PubChem CID: 3151574
• Molecular Formula: C19H15FN4O2S2
• Molecular Weight: 414.49 g/mol
• Exact Mass: 414.06
• IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
• SMILES: CN1C(=O)C(CC(=O)Nc2ccccc2F)SC1=Nc1nc2ccccc2s1
• InChI: InChI=1S/C19H15FN4O2S2/c1-24-17(26)15(10-16(25)21-12-7-3-2-6-11(12)20)28-19(24)23-18-22-13-8-4-5-9-14(13)27-18/h2-9,15H,10H2,1H3,(H,21,25)
• InChIKey: KECJWABRTKSFQX-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 74.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.49
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?

The IUPAC name of 2-[2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (CID 3151574) is 2-[2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.

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

The canonical SMILES for 2-[2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is CN1C(=O)C(CC(=O)Nc2ccccc2F)SC1=Nc1nc2ccccc2s1.

What is the InChIKey of 2-[2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?

The InChIKey is KECJWABRTKSFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S2/c1-24-17(26)15(10-16(25)21-12-7-3-2-6-11(12)20)28-19(24)23-18-22-13-8-4-5-9-14(13)27-18/h2-9,15H,10H2,1H3,(H,21,25).

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

2-[2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 414.49 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1,3-benzothiazol-2-ylimino)-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 3151574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).