2-[3-[3-(1-ethylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-formylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(1-methylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)propanamide

C133H147N23O11S6 — CID 158202436

About 2-[3-[3-(1-ethylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-formylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(1-methylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)propanamide

2-[3-[3-(1-ethylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-formylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(1-methylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)propanamide (PubChem CID 158202436) has the molecular formula C133H147N23O11S6 and a molecular weight of 2436.19 g/mol. Its IUPAC name is 2-[3-[3-(1-ethylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-formylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(1-methylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)propanamide.

Molecular Properties

• Compound Name: 2-[3-[3-(1-ethylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-formylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(1-methylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)propanamide
• PubChem CID: 158202436
• Molecular Formula: C133H147N23O11S6
• Molecular Weight: 2436.19 g/mol
• Exact Mass: 2434.00
• IUPAC Name: 2-[3-[3-(1-ethylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-formylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(1-methylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)propanamide
• SMILES: CCN1CCC(CCCOc2cccc(CC(=O)Nc3nc(-c4ccncc4)cs3)c2)CC1.CN(C(=O)Cc1cccc(OCCCC2CCNCC2)c1)c1nc(-c2ccncc2)cs1.CN1CCC(CCCOc2cccc(CC(=O)Nc3nc(-c4ccncc4)cs3)c2)CC1.O=C(CCc1ccccc1)Nc1cc(-c2ccncn2)cs1.O=C(Cc1ccccc1)Nc1cc(-c2ccncn2)cs1.O=CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(-c4ccncc4)cs3)c2)CC1
• InChI: InChI=1S/C26H32N4O2S.2C25H30N4O2S.C24H27N5O3S.C17H15N3OS.C16H13N3OS/c1-2-30-14-10-20(11-15-30)6-4-16-32-23-7-3-5-21(17-23)18-25(31)29-26-28-24(19-33-26)22-8-12-27-13-9-22;1-29-13-9-19(10-14-29)5-3-15-31-22-6-2-4-20(16-22)17-24(30)28-25-27-23(18-32-25)21-7-11-26-12-8-21;1-29(25-28-23(18-32-25)21-9-13-27-14-10-21)24(30)17-20-4-2-6-22(16-20)31-15-3-5-19-7-11-26-12-8-19;30-18-29-12-10-28(11-13-29)9-2-14-32-21-4-1-3-19(15-21)16-23(31)27-24-26-22(17-33-24)20-5-7-25-8-6-20;21-16(7-6-13-4-2-1-3-5-13)20-17-10-14(11-22-17)15-8-9-18-12-19-15;20-15(8-12-4-2-1-3-5-12)19-16-9-13(10-21-16)14-6-7-17-11-18-14/h3,5,7-9,12-13,17,19-20H,2,4,6,10-11,14-16,18H2,1H3,(H,28,29,31);2,4,6-8,11-12,16,18-19H,3,5,9-10,13-15,17H2,1H3,(H,27,28,30);2,4,6,9-10,13-14,16,18-19,26H,3,5,7-8,11-12,15,17H2,1H3;1,3-8,15,17-18H,2,9-14,16H2,(H,26,27,31);1-5,8-12H,6-7H2,(H,20,21);1-7,9-11H,8H2,(H,19,20)
• InChIKey: GBCHMFNTGJRHML-UHFFFAOYSA-N
• XLogP: 24.83
• TPSA: 399.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 47
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2436.19
LogP ≤ 5	24.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(1-ethylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-formylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(1-methylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)propanamide?

The IUPAC name of 2-[3-[3-(1-ethylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-formylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(1-methylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)propanamide (CID 158202436) is 2-[3-[3-(1-ethylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-formylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(1-methylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)propanamide.

What is the SMILES notation for 2-[3-[3-(1-ethylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-formylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(1-methylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)propanamide?

The canonical SMILES for 2-[3-[3-(1-ethylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-formylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(1-methylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)propanamide is CCN1CCC(CCCOc2cccc(CC(=O)Nc3nc(-c4ccncc4)cs3)c2)CC1.CN(C(=O)Cc1cccc(OCCCC2CCNCC2)c1)c1nc(-c2ccncc2)cs1.CN1CCC(CCCOc2cccc(CC(=O)Nc3nc(-c4ccncc4)cs3)c2)CC1.O=C(CCc1ccccc1)Nc1cc(-c2ccncn2)cs1.O=C(Cc1ccccc1)Nc1cc(-c2ccncn2)cs1.O=CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(-c4ccncc4)cs3)c2)CC1.

What is the InChIKey of 2-[3-[3-(1-ethylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-formylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(1-methylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)propanamide?

The InChIKey is GBCHMFNTGJRHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2S.2C25H30N4O2S.C24H27N5O3S.C17H15N3OS.C16H13N3OS/c1-2-30-14-10-20(11-15-30)6-4-16-32-23-7-3-5-21(17-23)18-25(31)29-26-28-24(19-33-26)22-8-12-27-13-9-22;1-29-13-9-19(10-14-29)5-3-15-31-22-6-2-4-20(16-22)17-24(30)28-25-27-23(18-32-25)21-7-11-26-12-8-21;1-29(25-28-23(18-32-25)21-9-13-27-14-10-21)24(30)17-20-4-2-6-22(16-20)31-15-3-5-19-7-11-26-12-8-19;30-18-29-12-10-28(11-13-29)9-2-14-32-21-4-1-3-19(15-21)16-23(31)27-24-26-22(17-33-24)20-5-7-25-8-6-20;21-16(7-6-13-4-2-1-3-5-13)20-17-10-14(11-22-17)15-8-9-18-12-19-15;20-15(8-12-4-2-1-3-5-12)19-16-9-13(10-21-16)14-6-7-17-11-18-14/h3,5,7-9,12-13,17,19-20H,2,4,6,10-11,14-16,18H2,1H3,(H,28,29,31);2,4,6-8,11-12,16,18-19H,3,5,9-10,13-15,17H2,1H3,(H,27,28,30);2,4,6,9-10,13-14,16,18-19,26H,3,5,7-8,11-12,15,17H2,1H3;1,3-8,15,17-18H,2,9-14,16H2,(H,26,27,31);1-5,8-12H,6-7H2,(H,20,21);1-7,9-11H,8H2,(H,19,20).

What are the key properties of 2-[3-[3-(1-ethylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-formylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(1-methylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)propanamide?

2-[3-[3-(1-ethylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-formylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(1-methylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)propanamide has a molecular weight of 2436.19 g/mol, XLogP of 24.83, 47 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(1-ethylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-formylpiperazin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(1-methylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-methyl-2-[3-(3-piperidin-4-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)acetamide;3-phenyl-N-(4-pyrimidin-4-ylthiophen-2-yl)propanamide is sourced from PubChem (CID 158202436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).