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

C106H114N22O6S4 — CID 159571379

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

2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-2-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-pyridin-3-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone (PubChem CID 159571379) has the molecular formula C106H114N22O6S4 and a molecular weight of 1920.49 g/mol. Its IUPAC name is 2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-2-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-pyridin-3-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-2-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-pyridin-3-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone
• PubChem CID: 159571379
• Molecular Formula: C106H114N22O6S4
• Molecular Weight: 1920.49 g/mol
• Exact Mass: 1918.82
• IUPAC Name: 2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-2-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-pyridin-3-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone
• SMILES: CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccccc4)ccc3N)nc2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc(-c4cccs4)ccc3N)nc2)CC1.Cc1nc(C(=O)Cc2cc(-c3ccoc3)ccc2N)sc1N1CCNCC1.Nc1ccc(-c2ccccn2)cc1CC(=O)c1cnc(N2CCNCC2)s1.Nc1ccc(-c2cccnc2)cc1CC(=O)c1cnc(N2CCNCC2)s1
• InChI: InChI=1S/C24H26N4O.C22H24N4OS.2C20H21N5OS.C20H22N4O2S/c1-27-11-13-28(14-12-27)21-8-10-23(26-17-21)24(29)16-20-15-19(7-9-22(20)25)18-5-3-2-4-6-18;1-25-8-10-26(11-9-25)18-5-7-20(24-15-18)21(27)14-17-13-16(4-6-19(17)23)22-3-2-12-28-22;21-17-4-3-14(15-2-1-5-23-12-15)10-16(17)11-18(26)19-13-24-20(27-19)25-8-6-22-7-9-25;21-16-5-4-14(17-3-1-2-6-23-17)11-15(16)12-18(26)19-13-24-20(27-19)25-9-7-22-8-10-25;1-13-20(24-7-5-22-6-8-24)27-19(23-13)18(25)11-16-10-14(2-3-17(16)21)15-4-9-26-12-15/h2-10,15,17H,11-14,16,25H2,1H3;2-7,12-13,15H,8-11,14,23H2,1H3;1-5,10,12-13,22H,6-9,11,21H2;1-6,11,13,22H,7-10,12,21H2;2-4,9-10,12,22H,5-8,11,21H2,1H3
• InChIKey: MHWBVPALSGXTEN-UHFFFAOYSA-N
• XLogP: 15.45
• TPSA: 377.59 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1920.49
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

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-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-2-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-pyridin-3-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone?

The IUPAC name of 2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-2-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-pyridin-3-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone (CID 159571379) is 2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-2-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-pyridin-3-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone.

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

The canonical SMILES for 2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-2-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-pyridin-3-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone is CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccccc4)ccc3N)nc2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc(-c4cccs4)ccc3N)nc2)CC1.Cc1nc(C(=O)Cc2cc(-c3ccoc3)ccc2N)sc1N1CCNCC1.Nc1ccc(-c2ccccn2)cc1CC(=O)c1cnc(N2CCNCC2)s1.Nc1ccc(-c2cccnc2)cc1CC(=O)c1cnc(N2CCNCC2)s1.

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

The InChIKey is MHWBVPALSGXTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O.C22H24N4OS.2C20H21N5OS.C20H22N4O2S/c1-27-11-13-28(14-12-27)21-8-10-23(26-17-21)24(29)16-20-15-19(7-9-22(20)25)18-5-3-2-4-6-18;1-25-8-10-26(11-9-25)18-5-7-20(24-15-18)21(27)14-17-13-16(4-6-19(17)23)22-3-2-12-28-22;21-17-4-3-14(15-2-1-5-23-12-15)10-16(17)11-18(26)19-13-24-20(27-19)25-8-6-22-7-9-25;21-16-5-4-14(17-3-1-2-6-23-17)11-15(16)12-18(26)19-13-24-20(27-19)25-9-7-22-8-10-25;1-13-20(24-7-5-22-6-8-24)27-19(23-13)18(25)11-16-10-14(2-3-17(16)21)15-4-9-26-12-15/h2-10,15,17H,11-14,16,25H2,1H3;2-7,12-13,15H,8-11,14,23H2,1H3;1-5,10,12-13,22H,6-9,11,21H2;1-6,11,13,22H,7-10,12,21H2;2-4,9-10,12,22H,5-8,11,21H2,1H3.

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

2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-2-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-pyridin-3-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone has a molecular weight of 1920.49 g/mol, XLogP of 15.45, 25 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-2-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-pyridin-3-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 159571379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).