2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylthiophen-2-yl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

C104H111FN20O6S3 — CID 158861836

About 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylthiophen-2-yl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylthiophen-2-yl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 158861836) has the molecular formula C104H111FN20O6S3 and a molecular weight of 1852.36 g/mol. Its IUPAC name is 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylthiophen-2-yl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylthiophen-2-yl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 158861836
• Molecular Formula: C104H111FN20O6S3
• Molecular Weight: 1852.36 g/mol
• Exact Mass: 1850.81
• IUPAC Name: 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylthiophen-2-yl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1ccc(-c2ccco2)cc1NC(=O)c1cnc(N2CCNCC2)s1.Nc1ccc(-c2ccc(F)cc2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.Nc1ccc(C2=CC=CC2)cc1CC(=O)c1ccc(N2CCNCC2)s1.Nc1ccc(C2=CC=CC2)cc1CC(=O)c1cnc(N2CCNCC2)cn1.Nc1ccc(C2=CC=CC2)cc1CC(=O)c1ncc(N2CCNCC2)s1
• InChI: InChI=1S/C23H23FN4O.C21H23N5O.C21H23N3OS.C20H22N4OS.C19H20N4O2S/c24-20-5-1-16(2-6-20)17-3-7-21(25)19(13-17)14-22(29)18-4-8-23(27-15-18)28-11-9-26-10-12-28;22-18-6-5-16(15-3-1-2-4-15)11-17(18)12-20(27)19-13-25-21(14-24-19)26-9-7-23-8-10-26;22-18-6-5-16(15-3-1-2-4-15)13-17(18)14-19(25)20-7-8-21(26-20)24-11-9-23-10-12-24;21-17-6-5-15(14-3-1-2-4-14)11-16(17)12-18(25)20-23-13-19(26-20)24-9-7-22-8-10-24;1-13-4-5-14(16-3-2-10-25-16)11-15(13)22-18(24)17-12-21-19(26-17)23-8-6-20-7-9-23/h1-8,13,15,26H,9-12,14,25H2;1-3,5-6,11,13-14,23H,4,7-10,12,22H2;1-3,5-8,13,23H,4,9-12,14,22H2;1-3,5-6,11,13,22H,4,7-10,12,21H2;2-5,10-12,20H,6-9H2,1H3,(H,22,24)
• InChIKey: JATFRXYDCQNKIK-UHFFFAOYSA-N
• XLogP: 15.33
• TPSA: 355.40 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1852.36
LogP ≤ 5	15.33
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylthiophen-2-yl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylthiophen-2-yl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (CID 158861836) is 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylthiophen-2-yl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylthiophen-2-yl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylthiophen-2-yl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is Cc1ccc(-c2ccco2)cc1NC(=O)c1cnc(N2CCNCC2)s1.Nc1ccc(-c2ccc(F)cc2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.Nc1ccc(C2=CC=CC2)cc1CC(=O)c1ccc(N2CCNCC2)s1.Nc1ccc(C2=CC=CC2)cc1CC(=O)c1cnc(N2CCNCC2)cn1.Nc1ccc(C2=CC=CC2)cc1CC(=O)c1ncc(N2CCNCC2)s1.

What is the InChIKey of 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylthiophen-2-yl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?

The InChIKey is JATFRXYDCQNKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O.C21H23N5O.C21H23N3OS.C20H22N4OS.C19H20N4O2S/c24-20-5-1-16(2-6-20)17-3-7-21(25)19(13-17)14-22(29)18-4-8-23(27-15-18)28-11-9-26-10-12-28;22-18-6-5-16(15-3-1-2-4-15)11-17(18)12-20(27)19-13-25-21(14-24-19)26-9-7-23-8-10-26;22-18-6-5-16(15-3-1-2-4-15)13-17(18)14-19(25)20-7-8-21(26-20)24-11-9-23-10-12-24;21-17-6-5-15(14-3-1-2-4-14)11-16(17)12-18(25)20-23-13-19(26-20)24-9-7-22-8-10-24;1-13-4-5-14(16-3-2-10-25-16)11-15(13)22-18(24)17-12-21-19(26-17)23-8-6-20-7-9-23/h1-8,13,15,26H,9-12,14,25H2;1-3,5-6,11,13-14,23H,4,7-10,12,22H2;1-3,5-8,13,23H,4,9-12,14,22H2;1-3,5-6,11,13,22H,4,7-10,12,21H2;2-5,10-12,20H,6-9H2,1H3,(H,22,24).

What are the key properties of 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylthiophen-2-yl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?

2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylthiophen-2-yl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 1852.36 g/mol, XLogP of 15.33, 24 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylthiophen-2-yl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158861836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).