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-(4-fluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(4-fluorophenyl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

C108H112F3N21O5S2 — CID 158116338

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-(4-fluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(4-fluorophenyl)-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-(4-fluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(4-fluorophenyl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 158116338) has the molecular formula C108H112F3N21O5S2 and a molecular weight of 1905.35 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-(4-fluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(4-fluorophenyl)-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-(4-fluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(4-fluorophenyl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 158116338
• Molecular Formula: C108H112F3N21O5S2
• Molecular Weight: 1905.35 g/mol
• Exact Mass: 1903.85
• 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-(4-fluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(4-fluorophenyl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1cnc(N2CCNCC2)s1.Nc1ccc(-c2ccc(F)cc2)cc1CC(=O)c1ccc(N2CCNCC2)cn1.Nc1ccc(-c2ccc(F)cc2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.Nc1ccc(C2=CC=CC2)cc1CC(=O)c1cnc(N2CCNCC2)cn1.Nc1ccc(C2=CC=CC2)cc1CC(=O)c1ncc(N2CCNCC2)s1
• InChI: InChI=1S/2C23H23FN4O.C21H21FN4OS.C21H23N5O.C20H22N4OS/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;24-19-4-1-16(2-5-19)17-3-7-21(25)18(13-17)14-23(29)22-8-6-20(15-27-22)28-11-9-26-10-12-28;1-14-2-3-16(15-4-6-17(22)7-5-15)12-18(14)25-20(27)19-13-24-21(28-19)26-10-8-23-9-11-26;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;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/h2*1-8,13,15,26H,9-12,14,25H2;2-7,12-13,23H,8-11H2,1H3,(H,25,27);1-3,5-6,11,13-14,23H,4,7-10,12,22H2;1-3,5-6,11,13,22H,4,7-10,12,21H2
• InChIKey: FRAYZQZKEUCENG-UHFFFAOYSA-N
• XLogP: 15.67
• TPSA: 355.15 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1905.35
LogP ≤ 5	15.67
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

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-(4-fluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(4-fluorophenyl)-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-(4-fluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(4-fluorophenyl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (CID 158116338) 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-(4-fluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(4-fluorophenyl)-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-(4-fluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(4-fluorophenyl)-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-(4-fluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(4-fluorophenyl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is Cc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1cnc(N2CCNCC2)s1.Nc1ccc(-c2ccc(F)cc2)cc1CC(=O)c1ccc(N2CCNCC2)cn1.Nc1ccc(-c2ccc(F)cc2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.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-(4-fluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(4-fluorophenyl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?

The InChIKey is FRAYZQZKEUCENG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23FN4O.C21H21FN4OS.C21H23N5O.C20H22N4OS/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;24-19-4-1-16(2-5-19)17-3-7-21(25)18(13-17)14-23(29)22-8-6-20(15-27-22)28-11-9-26-10-12-28;1-14-2-3-16(15-4-6-17(22)7-5-15)12-18(14)25-20(27)19-13-24-21(28-19)26-10-8-23-9-11-26;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;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/h2*1-8,13,15,26H,9-12,14,25H2;2-7,12-13,23H,8-11H2,1H3,(H,25,27);1-3,5-6,11,13-14,23H,4,7-10,12,22H2;1-3,5-6,11,13,22H,4,7-10,12,21H2.

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-(4-fluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(4-fluorophenyl)-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-(4-fluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(4-fluorophenyl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 1905.35 g/mol, XLogP of 15.67, 24 rotatable bonds, 10 hydrogen bond donors, and 27 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-(4-fluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;N-[5-(4-fluorophenyl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158116338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).