1-benzofuran-2-yl-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone

C23H20ClN3O2S — CID 34019768

About 1-benzofuran-2-yl-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone

1-benzofuran-2-yl-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone (PubChem CID 34019768) has the molecular formula C23H20ClN3O2S and a molecular weight of 437.95 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: 1-benzofuran-2-yl-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
• PubChem CID: 34019768
• Molecular Formula: C23H20ClN3O2S
• Molecular Weight: 437.95 g/mol
• Exact Mass: 437.10
• IUPAC Name: 1-benzofuran-2-yl-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
• SMILES: O=C(c1cc2ccccc2o1)N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1
• InChI: InChI=1S/C23H20ClN3O2S/c24-18-7-5-16(6-8-18)22-25-19(15-30-22)14-26-9-11-27(12-10-26)23(28)21-13-17-3-1-2-4-20(17)29-21/h1-8,13,15H,9-12,14H2
• InChIKey: BSWWBHMNFBPIQN-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 49.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.95
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone?

The IUPAC name of 1-benzofuran-2-yl-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone (CID 34019768) is 1-benzofuran-2-yl-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone.

What is the SMILES notation for 1-benzofuran-2-yl-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone?

The canonical SMILES for 1-benzofuran-2-yl-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1.

What is the InChIKey of 1-benzofuran-2-yl-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone?

The InChIKey is BSWWBHMNFBPIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2S/c24-18-7-5-16(6-8-18)22-25-19(15-30-22)14-26-9-11-27(12-10-26)23(28)21-13-17-3-1-2-4-20(17)29-21/h1-8,13,15H,9-12,14H2.

What are the key properties of 1-benzofuran-2-yl-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone?

1-benzofuran-2-yl-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 437.95 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzofuran-2-yl-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 34019768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).