2-[3-[3-(3,5-dimethylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-imidazol-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-[3-(3-methylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide

C130H141N25O10S6 — CID 159479489

About 2-[3-[3-(3,5-dimethylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-imidazol-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-[3-(3-methylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide

2-[3-[3-(3,5-dimethylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-imidazol-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-[3-(3-methylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 159479489) has the molecular formula C130H141N25O10S6 and a molecular weight of 2406.12 g/mol. Its IUPAC name is 2-[3-[3-(3,5-dimethylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-imidazol-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-[3-(3-methylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[3-(3,5-dimethylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-imidazol-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-[3-(3-methylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 159479489
• Molecular Formula: C130H141N25O10S6
• Molecular Weight: 2406.12 g/mol
• Exact Mass: 2403.96
• IUPAC Name: 2-[3-[3-(3,5-dimethylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-imidazol-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-[3-(3-methylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
• SMILES: CC1CN(CCCOc2cccc(CC(=O)Nc3nc(-c4ccncc4)cs3)c2)CC(C)N1.CC1CN(CCCOc2cccc(CC(=O)Nc3nc(-c4ccncc4)cs3)c2)CCN1.CN(C(=O)CCc1ccccc1)c1nc(-c2ccncc2)cs1.CN(C(=O)Cc1ccccc1)c1nc(-c2ccncc2)cs1.O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(-c2ccncc2)cs1.O=C(Cc1cccc(OCCCn2ccnc2)c1)Nc1nc(-c2ccncc2)cs1
• InChI: InChI=1S/C25H31N5O2S.C24H29N5O2S.C24H28N4O2S.C22H21N5O2S.C18H17N3OS.C17H15N3OS/c1-18-15-30(16-19(2)27-18)11-4-12-32-22-6-3-5-20(13-22)14-24(31)29-25-28-23(17-33-25)21-7-9-26-10-8-21;1-18-16-29(12-10-26-18)11-3-13-31-21-5-2-4-19(14-21)15-23(30)28-24-27-22(17-32-24)20-6-8-25-9-7-20;29-23(28-24-27-22(17-31-24)20-8-12-26-13-9-20)16-19-3-1-5-21(15-19)30-14-2-4-18-6-10-25-11-7-18;28-21(26-22-25-20(15-30-22)18-5-7-23-8-6-18)14-17-3-1-4-19(13-17)29-12-2-10-27-11-9-24-16-27;1-21(17(22)8-7-14-5-3-2-4-6-14)18-20-16(13-23-18)15-9-11-19-12-10-15;1-20(16(21)11-13-5-3-2-4-6-13)17-19-15(12-22-17)14-7-9-18-10-8-14/h3,5-10,13,17-19,27H,4,11-12,14-16H2,1-2H3,(H,28,29,31);2,4-9,14,17-18,26H,3,10-13,15-16H2,1H3,(H,27,28,30);1,3,5,8-9,12-13,15,17-18,25H,2,4,6-7,10-11,14,16H2,(H,27,28,29);1,3-9,11,13,15-16H,2,10,12,14H2,(H,25,26,28);2-6,9-13H,7-8H2,1H3;2-10,12H,11H2,1H3
• InChIKey: LWUXZWGUBVZWBO-UHFFFAOYSA-N
• XLogP: 23.09
• TPSA: 409.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 45
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2406.12
LogP ≤ 5	23.09
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,5-dimethylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-imidazol-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-[3-(3-methylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[3-[3-(3,5-dimethylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-imidazol-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-[3-(3-methylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide (CID 159479489) is 2-[3-[3-(3,5-dimethylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-imidazol-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-[3-(3-methylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[3-[3-(3,5-dimethylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-imidazol-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-[3-(3-methylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[3-[3-(3,5-dimethylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-imidazol-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-[3-(3-methylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide is CC1CN(CCCOc2cccc(CC(=O)Nc3nc(-c4ccncc4)cs3)c2)CC(C)N1.CC1CN(CCCOc2cccc(CC(=O)Nc3nc(-c4ccncc4)cs3)c2)CCN1.CN(C(=O)CCc1ccccc1)c1nc(-c2ccncc2)cs1.CN(C(=O)Cc1ccccc1)c1nc(-c2ccncc2)cs1.O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(-c2ccncc2)cs1.O=C(Cc1cccc(OCCCn2ccnc2)c1)Nc1nc(-c2ccncc2)cs1.

What is the InChIKey of 2-[3-[3-(3,5-dimethylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-imidazol-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-[3-(3-methylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?

The InChIKey is LWUXZWGUBVZWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2S.C24H29N5O2S.C24H28N4O2S.C22H21N5O2S.C18H17N3OS.C17H15N3OS/c1-18-15-30(16-19(2)27-18)11-4-12-32-22-6-3-5-20(13-22)14-24(31)29-25-28-23(17-33-25)21-7-9-26-10-8-21;1-18-16-29(12-10-26-18)11-3-13-31-21-5-2-4-19(14-21)15-23(30)28-24-27-22(17-32-24)20-6-8-25-9-7-20;29-23(28-24-27-22(17-31-24)20-8-12-26-13-9-20)16-19-3-1-5-21(15-19)30-14-2-4-18-6-10-25-11-7-18;28-21(26-22-25-20(15-30-22)18-5-7-23-8-6-18)14-17-3-1-4-19(13-17)29-12-2-10-27-11-9-24-16-27;1-21(17(22)8-7-14-5-3-2-4-6-14)18-20-16(13-23-18)15-9-11-19-12-10-15;1-20(16(21)11-13-5-3-2-4-6-13)17-19-15(12-22-17)14-7-9-18-10-8-14/h3,5-10,13,17-19,27H,4,11-12,14-16H2,1-2H3,(H,28,29,31);2,4-9,14,17-18,26H,3,10-13,15-16H2,1H3,(H,27,28,30);1,3,5,8-9,12-13,15,17-18,25H,2,4,6-7,10-11,14,16H2,(H,27,28,29);1,3-9,11,13,15-16H,2,10,12,14H2,(H,25,26,28);2-6,9-13H,7-8H2,1H3;2-10,12H,11H2,1H3.

What are the key properties of 2-[3-[3-(3,5-dimethylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-imidazol-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-[3-(3-methylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?

2-[3-[3-(3,5-dimethylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-imidazol-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-[3-(3-methylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 2406.12 g/mol, XLogP of 23.09, 45 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3,5-dimethylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-imidazol-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-[3-(3-methylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 159479489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).