6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole

C₁₉H₁₁FN₂OS — CID 155511341

About 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole

6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 155511341) has the molecular formula C₁₉H₁₁FN₂OS and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

• Compound Name: 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole
• PubChem CID: 155511341
• Molecular Formula: C₁₉H₁₁FN₂OS
• Molecular Weight: 334.38 g/mol
• Exact Mass: 334.06
• IUPAC Name: 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole
• SMILES: Fc1ccc(-c2csc3nc(-c4cc5ccccc5o4)cn23)cc1
• InChI: InChI=1S/C19H11FN2OS/c20-14-7-5-12(6-8-14)16-11-24-19-21-15(10-22(16)19)18-9-13-3-1-2-4-17(13)23-18/h1-11H
• InChIKey: PTKYOSKHWDDURT-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 30.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	334.38
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole?

The IUPAC name of 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole (CID 155511341) is 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole.

What is the SMILES notation for 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole?

The canonical SMILES for 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole is Fc1ccc(-c2csc3nc(-c4cc5ccccc5o4)cn23)cc1.

What is the InChIKey of 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole?

The InChIKey is PTKYOSKHWDDURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN2OS/c20-14-7-5-12(6-8-14)16-11-24-19-21-15(10-22(16)19)18-9-13-3-1-2-4-17(13)23-18/h1-11H.

What are the key properties of 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole?

6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 334.38 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-benzofuran-2-yl)-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155511341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155511341 — identifiers, structure, computed properties (public domain)

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