1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone

C26H25ClN4OS — CID 50837077

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone (PubChem CID 50837077) has the molecular formula C26H25ClN4OS and a molecular weight of 477.03 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone
• PubChem CID: 50837077
• Molecular Formula: C26H25ClN4OS
• Molecular Weight: 477.03 g/mol
• Exact Mass: 476.14
• IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone
• SMILES: Cc1ccc(-c2csc(-c3cccn3CC(=O)N3CCN(c4cccc(Cl)c4)CC3)n2)cc1
• InChI: InChI=1S/C26H25ClN4OS/c1-19-7-9-20(10-8-19)23-18-33-26(28-23)24-6-3-11-31(24)17-25(32)30-14-12-29(13-15-30)22-5-2-4-21(27)16-22/h2-11,16,18H,12-15,17H2,1H3
• InChIKey: UAQVQABLAOOHKK-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 41.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.03
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone?

The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone (CID 50837077) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone.

What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone?

The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone is Cc1ccc(-c2csc(-c3cccn3CC(=O)N3CCN(c4cccc(Cl)c4)CC3)n2)cc1.

What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone?

The InChIKey is UAQVQABLAOOHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4OS/c1-19-7-9-20(10-8-19)23-18-33-26(28-23)24-6-3-11-31(24)17-25(32)30-14-12-29(13-15-30)22-5-2-4-21(27)16-22/h2-11,16,18H,12-15,17H2,1H3.

What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone?

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone has a molecular weight of 477.03 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]ethanone is sourced from PubChem (CID 50837077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).