2-[2-amino-5-(furan-2-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone

C103H108N20O8S3 — CID 161473158

About 2-[2-amino-5-(furan-2-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone

2-[2-amino-5-(furan-2-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone (PubChem CID 161473158) has the molecular formula C103H108N20O8S3 and a molecular weight of 1850.33 g/mol. Its IUPAC name is 2-[2-amino-5-(furan-2-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone.

Molecular Properties

• Compound Name: 2-[2-amino-5-(furan-2-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone
• PubChem CID: 161473158
• Molecular Formula: C103H108N20O8S3
• Molecular Weight: 1850.33 g/mol
• Exact Mass: 1848.78
• IUPAC Name: 2-[2-amino-5-(furan-2-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone
• SMILES: Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.Nc1ccc(-c2ccco2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.Nc1ccc(-c2ccco2)cc1CC(=O)c1nc(N2CCNCC2)cs1.Nc1ccc(-c2cccs2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.Nc1ccc(-c2ccoc2)cc1CC(=O)c1nc(N2CCNCC2)cs1
• InChI: InChI=1S/C23H24N4O.C21H22N4O2.C21H22N4OS.2C19H20N4O2S/c24-21-8-6-18(17-4-2-1-3-5-17)14-20(21)15-22(28)19-7-9-23(26-16-19)27-12-10-25-11-13-27;2*22-18-5-3-15(20-2-1-11-27-20)12-17(18)13-19(26)16-4-6-21(24-14-16)25-9-7-23-8-10-25;20-16-2-1-13(14-3-8-25-11-14)9-15(16)10-17(24)19-22-18(12-26-19)23-6-4-21-5-7-23;20-15-4-3-13(17-2-1-9-25-17)10-14(15)11-16(24)19-22-18(12-26-19)23-7-5-21-6-8-23/h1-9,14,16,25H,10-13,15,24H2;2*1-6,11-12,14,23H,7-10,13,22H2;1-3,8-9,11-12,21H,4-7,10,20H2;1-4,9-10,12,21H,5-8,11,20H2
• InChIKey: WDIYAURWAKIZSS-UHFFFAOYSA-N
• XLogP: 14.79
• TPSA: 395.67 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1850.33
LogP ≤ 5	14.79
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(furan-2-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone?

The IUPAC name of 2-[2-amino-5-(furan-2-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone (CID 161473158) is 2-[2-amino-5-(furan-2-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone.

What is the SMILES notation for 2-[2-amino-5-(furan-2-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone?

The canonical SMILES for 2-[2-amino-5-(furan-2-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone is Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.Nc1ccc(-c2ccco2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.Nc1ccc(-c2ccco2)cc1CC(=O)c1nc(N2CCNCC2)cs1.Nc1ccc(-c2cccs2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.Nc1ccc(-c2ccoc2)cc1CC(=O)c1nc(N2CCNCC2)cs1.

What is the InChIKey of 2-[2-amino-5-(furan-2-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone?

The InChIKey is WDIYAURWAKIZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O.C21H22N4O2.C21H22N4OS.2C19H20N4O2S/c24-21-8-6-18(17-4-2-1-3-5-17)14-20(21)15-22(28)19-7-9-23(26-16-19)27-12-10-25-11-13-27;2*22-18-5-3-15(20-2-1-11-27-20)12-17(18)13-19(26)16-4-6-21(24-14-16)25-9-7-23-8-10-25;20-16-2-1-13(14-3-8-25-11-14)9-15(16)10-17(24)19-22-18(12-26-19)23-6-4-21-5-7-23;20-15-4-3-13(17-2-1-9-25-17)10-14(15)11-16(24)19-22-18(12-26-19)23-7-5-21-6-8-23/h1-9,14,16,25H,10-13,15,24H2;2*1-6,11-12,14,23H,7-10,13,22H2;1-3,8-9,11-12,21H,4-7,10,20H2;1-4,9-10,12,21H,5-8,11,20H2.

What are the key properties of 2-[2-amino-5-(furan-2-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone?

2-[2-amino-5-(furan-2-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone has a molecular weight of 1850.33 g/mol, XLogP of 14.79, 25 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-amino-5-(furan-2-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 161473158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).