N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-dimethylpropanamide

C17H19FN2O3S — CID 74489233

About N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-dimethylpropanamide

N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 74489233) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-dimethylpropanamide
• PubChem CID: 74489233
• Molecular Formula: C17H19FN2O3S
• Molecular Weight: 350.42 g/mol
• Exact Mass: 350.11
• IUPAC Name: N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)NCCN1C(=O)SC(=Cc2ccccc2F)C1=O
• InChI: InChI=1S/C17H19FN2O3S/c1-17(2,3)15(22)19-8-9-20-14(21)13(24-16(20)23)10-11-6-4-5-7-12(11)18/h4-7,10H,8-9H2,1-3H3,(H,19,22)
• InChIKey: MVOIHPKIJMZBEH-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.42
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-dimethylpropanamide (CID 74489233) is N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCN1C(=O)SC(=Cc2ccccc2F)C1=O.

What is the InChIKey of N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-dimethylpropanamide?

The InChIKey is MVOIHPKIJMZBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-17(2,3)15(22)19-8-9-20-14(21)13(24-16(20)23)10-11-6-4-5-7-12(11)18/h4-7,10H,8-9H2,1-3H3,(H,19,22).

What are the key properties of N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-dimethylpropanamide?

N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 350.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 74489233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).