2-(1-benzylimidazol-2-yl)sulfanyl-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide

C24H21FN4O3S2 — CID 24577819

About 2-(1-benzylimidazol-2-yl)sulfanyl-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide

2-(1-benzylimidazol-2-yl)sulfanyl-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide (PubChem CID 24577819) has the molecular formula C24H21FN4O3S2 and a molecular weight of 496.59 g/mol. Its IUPAC name is 2-(1-benzylimidazol-2-yl)sulfanyl-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(1-benzylimidazol-2-yl)sulfanyl-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
• PubChem CID: 24577819
• Molecular Formula: C24H21FN4O3S2
• Molecular Weight: 496.59 g/mol
• Exact Mass: 496.10
• IUPAC Name: 2-(1-benzylimidazol-2-yl)sulfanyl-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
• SMILES: O=C(CSc1nccn1Cc1ccccc1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O
• InChI: InChI=1S/C24H21FN4O3S2/c25-19-9-5-4-8-18(19)14-20-22(31)29(24(32)34-20)13-11-26-21(30)16-33-23-27-10-12-28(23)15-17-6-2-1-3-7-17/h1-10,12,14H,11,13,15-16H2,(H,26,30)/b20-14-
• InChIKey: JXYWEZRWNRCVMF-ZHZULCJRSA-N
• XLogP: 4.02
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.59
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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 2-(1-benzylimidazol-2-yl)sulfanyl-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide?

The IUPAC name of 2-(1-benzylimidazol-2-yl)sulfanyl-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide (CID 24577819) is 2-(1-benzylimidazol-2-yl)sulfanyl-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide.

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

The canonical SMILES for 2-(1-benzylimidazol-2-yl)sulfanyl-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide is O=C(CSc1nccn1Cc1ccccc1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O.

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

The InChIKey is JXYWEZRWNRCVMF-ZHZULCJRSA-N. The full InChI is InChI=1S/C24H21FN4O3S2/c25-19-9-5-4-8-18(19)14-20-22(31)29(24(32)34-20)13-11-26-21(30)16-33-23-27-10-12-28(23)15-17-6-2-1-3-7-17/h1-10,12,14H,11,13,15-16H2,(H,26,30)/b20-14-.

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

2-(1-benzylimidazol-2-yl)sulfanyl-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide has a molecular weight of 496.59 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzylimidazol-2-yl)sulfanyl-N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide is sourced from PubChem (CID 24577819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).