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-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

C108H119N23O5S3 — CID 157156488

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-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-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 157156488) has the molecular formula C108H119N23O5S3 and a molecular weight of 1915.50 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-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-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: 157156488
• Molecular Formula: C108H119N23O5S3
• Molecular Weight: 1915.50 g/mol
• Exact Mass: 1913.89
• 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-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
• InChI: InChI=1S/2C23H25N5O.2C21H24N4OS.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;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;1-6,11,13,23H,7-10,12,21H2
• InChIKey: ALWFZOZDWOVKFN-UHFFFAOYSA-N
• XLogP: 14.89
• TPSA: 368.55 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1915.50
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

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-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-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 157156488) 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-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-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-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.

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-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 ALWFZOZDWOVKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H25N5O.2C21H24N4OS.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;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;1-6,11,13,23H,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-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-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 1915.50 g/mol, XLogP of 14.89, 25 rotatable bonds, 7 hydrogen bond donors, and 31 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-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 157156488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).