2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-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-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone

C129H142N26O6S4 — CID 158557211

About 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-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-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone

2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-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-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 158557211) has the molecular formula C129H142N26O6S4 and a molecular weight of 2281.00 g/mol. Its IUPAC name is 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-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-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

• Compound Name: 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-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-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
• PubChem CID: 158557211
• Molecular Formula: C129H142N26O6S4
• Molecular Weight: 2281.00 g/mol
• Exact Mass: 2279.05
• IUPAC Name: 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-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-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
• SMILES: CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccncc4)ccc3N)cn2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccncc4)ccc3N)nc2)CC1.CN1CCN(c2ncc(C(=O)Cc3cc(C4=CC=CC4)ccc3N)s2)CC1.Cc1nc(N2CCNCC2)sc1C(=O)Cc1cc(C2=CC=CC2)ccc1N.Nc1ccc(-c2ccncc2)cc1CC(=O)c1cnc(N2CCNCC2)s1.Nc1ccc(C2=CC=CC2)cc1CC(=O)c1ccc(N2CCNCC2)s1
• InChI: InChI=1S/2C23H25N5O.2C21H24N4OS.C21H23N3OS.C20H21N5OS/c1-27-10-12-28(13-11-27)20-3-5-22(26-16-20)23(29)15-19-14-18(2-4-21(19)24)17-6-8-25-9-7-17;1-27-10-12-28(13-11-27)23-5-3-19(16-26-23)22(29)15-20-14-18(2-4-21(20)24)17-6-8-25-9-7-17;1-24-8-10-25(11-9-24)21-23-14-20(27-21)19(26)13-17-12-16(6-7-18(17)22)15-4-2-3-5-15;1-14-20(27-21(24-14)25-10-8-23-9-11-25)19(26)13-17-12-16(6-7-18(17)22)15-4-2-3-5-15;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/h2*2-9,14,16H,10-13,15,24H2,1H3;2-4,6-7,12,14H,5,8-11,13,22H2,1H3;2-4,6-7,12,23H,5,8-11,13,22H2,1H3;1-3,5-8,13,23H,4,9-12,14,22H2;1-6,11,13,23H,7-10,12,21H2
• InChIKey: HQLBTWODHWFMMR-UHFFFAOYSA-N
• XLogP: 18.39
• TPSA: 426.91 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2281.00
LogP ≤ 5	18.39
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

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-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-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-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?

The IUPAC name of 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-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-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone (CID 158557211) is 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-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-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone.

What is the SMILES notation for 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-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-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?

The canonical SMILES for 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-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-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone is CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccncc4)ccc3N)cn2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccncc4)ccc3N)nc2)CC1.CN1CCN(c2ncc(C(=O)Cc3cc(C4=CC=CC4)ccc3N)s2)CC1.Cc1nc(N2CCNCC2)sc1C(=O)Cc1cc(C2=CC=CC2)ccc1N.Nc1ccc(-c2ccncc2)cc1CC(=O)c1cnc(N2CCNCC2)s1.Nc1ccc(C2=CC=CC2)cc1CC(=O)c1ccc(N2CCNCC2)s1.

What is the InChIKey of 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-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-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?

The InChIKey is HQLBTWODHWFMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H25N5O.2C21H24N4OS.C21H23N3OS.C20H21N5OS/c1-27-10-12-28(13-11-27)20-3-5-22(26-16-20)23(29)15-19-14-18(2-4-21(19)24)17-6-8-25-9-7-17;1-27-10-12-28(13-11-27)23-5-3-19(16-26-23)22(29)15-20-14-18(2-4-21(20)24)17-6-8-25-9-7-17;1-24-8-10-25(11-9-24)21-23-14-20(27-21)19(26)13-17-12-16(6-7-18(17)22)15-4-2-3-5-15;1-14-20(27-21(24-14)25-10-8-23-9-11-25)19(26)13-17-12-16(6-7-18(17)22)15-4-2-3-5-15;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/h2*2-9,14,16H,10-13,15,24H2,1H3;2-4,6-7,12,14H,5,8-11,13,22H2,1H3;2-4,6-7,12,23H,5,8-11,13,22H2,1H3;1-3,5-8,13,23H,4,9-12,14,22H2;1-6,11,13,23H,7-10,12,21H2.

What are the key properties of 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-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-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?

2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-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-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 2281.00 g/mol, XLogP of 18.39, 30 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone;2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-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-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 158557211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).