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-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

C101H109N21O6S4 — CID 158500666

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-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)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-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 158500666) has the molecular formula C101H109N21O6S4 and a molecular weight of 1841.39 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-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)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-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 158500666
• Molecular Formula: C101H109N21O6S4
• Molecular Weight: 1841.39 g/mol
• Exact Mass: 1839.78
• 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-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)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(-c2ccncc2)cc1CC(=O)c1cnc(N2CCNCC2)s1.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/C21H23N5O.C21H23N3OS.C20H21N5OS.C20H22N4OS.C19H20N4O2S/c22-18-6-5-16(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;21-17-2-1-15(14-3-5-22-6-4-14)11-16(17)12-18(26)19-13-24-20(27-19)25-9-7-23-8-10-25;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/h1-3,5-6,11,13-14,23H,4,7-10,12,22H2;1-3,5-8,13,23H,4,9-12,14,22H2;1-6,11,13,23H,7-10,12,21H2;1-3,5-6,11,13,22H,4,7-10,12,21H2;2-5,10-12,20H,6-9H2,1H3,(H,22,24)
• InChIKey: HJVTVVYCLWXPTE-UHFFFAOYSA-N
• XLogP: 14.65
• TPSA: 368.29 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1841.39
LogP ≤ 5	14.65
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

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-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)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-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (CID 158500666) 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-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)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-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)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-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)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(-c2ccncc2)cc1CC(=O)c1cnc(N2CCNCC2)s1.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-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?

The InChIKey is HJVTVVYCLWXPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O.C21H23N3OS.C20H21N5OS.C20H22N4OS.C19H20N4O2S/c22-18-6-5-16(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;21-17-2-1-15(14-3-5-22-6-4-14)11-16(17)12-18(26)19-13-24-20(27-19)25-9-7-23-8-10-25;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/h1-3,5-6,11,13-14,23H,4,7-10,12,22H2;1-3,5-8,13,23H,4,9-12,14,22H2;1-6,11,13,23H,7-10,12,21H2;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-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)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-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 1841.39 g/mol, XLogP of 14.65, 24 rotatable bonds, 10 hydrogen bond donors, and 30 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-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158500666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).