2-[3-[3-(2-hydroxyethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-[2-hydroxyethyl(methyl)amino]propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-hydroxypiperidin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(methylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;bis(2-[3-(3-piperazin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide)

C133H154N26O15S6 — CID 161259152

About 2-[3-[3-(2-hydroxyethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-[2-hydroxyethyl(methyl)amino]propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-hydroxypiperidin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(methylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;bis(2-[3-(3-piperazin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide)

2-[3-[3-(2-hydroxyethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-[2-hydroxyethyl(methyl)amino]propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-hydroxypiperidin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(methylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;bis(2-[3-(3-piperazin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide) (PubChem CID 161259152) has the molecular formula C133H154N26O15S6 and a molecular weight of 2549.26 g/mol. Its IUPAC name is 2-[3-[3-(2-hydroxyethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-[2-hydroxyethyl(methyl)amino]propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-hydroxypiperidin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(methylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;bis(2-[3-(3-piperazin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide).

Molecular Properties

• Compound Name: 2-[3-[3-(2-hydroxyethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-[2-hydroxyethyl(methyl)amino]propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-hydroxypiperidin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(methylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;bis(2-[3-(3-piperazin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide)
• PubChem CID: 161259152
• Molecular Formula: C133H154N26O15S6
• Molecular Weight: 2549.26 g/mol
• Exact Mass: 2547.04
• IUPAC Name: 2-[3-[3-(2-hydroxyethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-[2-hydroxyethyl(methyl)amino]propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-hydroxypiperidin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(methylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;bis(2-[3-(3-piperazin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide)
• SMILES: CN(CCO)CCCOc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1.CNCCCOc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1.O=C(Cc1cccc(OCCCN2CCC(O)CC2)c1)Nc1nc(-c2ccncc2)cs1.O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(-c2ccncc2)cs1.O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(-c2ccncc2)cs1.O=C(Cc1cccc(OCCCNCCO)c1)Nc1nc(-c2ccncc2)cs1
• InChI: InChI=1S/C24H28N4O3S.2C23H27N5O2S.C22H26N4O3S.C21H24N4O3S.C20H22N4O2S/c29-20-7-12-28(13-8-20)11-2-14-31-21-4-1-3-18(15-21)16-23(30)27-24-26-22(17-32-24)19-5-9-25-10-6-19;2*29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28;1-26(11-12-27)10-3-13-29-19-5-2-4-17(14-19)15-21(28)25-22-24-20(16-30-22)18-6-8-23-9-7-18;26-11-10-22-7-2-12-28-18-4-1-3-16(13-18)14-20(27)25-21-24-19(15-29-21)17-5-8-23-9-6-17;1-21-8-3-11-26-17-5-2-4-15(12-17)13-19(25)24-20-23-18(14-27-20)16-6-9-22-10-7-16/h1,3-6,9-10,15,17,20,29H,2,7-8,11-14,16H2,(H,26,27,30);2*1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29);2,4-9,14,16,27H,3,10-13,15H2,1H3,(H,24,25,28);1,3-6,8-9,13,15,22,26H,2,7,10-12,14H2,(H,24,25,27);2,4-7,9-10,12,14,21H,3,8,11,13H2,1H3,(H,23,24,25)
• InChIKey: VCICZHAVZVCGDR-UHFFFAOYSA-N
• XLogP: 18.92
• TPSA: 506.43 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 41
• Rotatable Bonds: 58
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2549.26
LogP ≤ 5	18.92
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	41

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-(2-hydroxyethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-[2-hydroxyethyl(methyl)amino]propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-hydroxypiperidin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(methylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;bis(2-[3-(3-piperazin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide)?

The IUPAC name of 2-[3-[3-(2-hydroxyethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-[2-hydroxyethyl(methyl)amino]propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-hydroxypiperidin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(methylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;bis(2-[3-(3-piperazin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide) (CID 161259152) is 2-[3-[3-(2-hydroxyethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-[2-hydroxyethyl(methyl)amino]propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-hydroxypiperidin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(methylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;bis(2-[3-(3-piperazin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide).

What is the SMILES notation for 2-[3-[3-(2-hydroxyethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-[2-hydroxyethyl(methyl)amino]propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-hydroxypiperidin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(methylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;bis(2-[3-(3-piperazin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide)?

The canonical SMILES for 2-[3-[3-(2-hydroxyethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-[2-hydroxyethyl(methyl)amino]propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-hydroxypiperidin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(methylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;bis(2-[3-(3-piperazin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide) is CN(CCO)CCCOc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1.CNCCCOc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1.O=C(Cc1cccc(OCCCN2CCC(O)CC2)c1)Nc1nc(-c2ccncc2)cs1.O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(-c2ccncc2)cs1.O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(-c2ccncc2)cs1.O=C(Cc1cccc(OCCCNCCO)c1)Nc1nc(-c2ccncc2)cs1.

What is the InChIKey of 2-[3-[3-(2-hydroxyethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-[2-hydroxyethyl(methyl)amino]propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-hydroxypiperidin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(methylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;bis(2-[3-(3-piperazin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide)?

The InChIKey is VCICZHAVZVCGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S.2C23H27N5O2S.C22H26N4O3S.C21H24N4O3S.C20H22N4O2S/c29-20-7-12-28(13-8-20)11-2-14-31-21-4-1-3-18(15-21)16-23(30)27-24-26-22(17-32-24)19-5-9-25-10-6-19;2*29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28;1-26(11-12-27)10-3-13-29-19-5-2-4-17(14-19)15-21(28)25-22-24-20(16-30-22)18-6-8-23-9-7-18;26-11-10-22-7-2-12-28-18-4-1-3-16(13-18)14-20(27)25-21-24-19(15-29-21)17-5-8-23-9-6-17;1-21-8-3-11-26-17-5-2-4-15(12-17)13-19(25)24-20-23-18(14-27-20)16-6-9-22-10-7-16/h1,3-6,9-10,15,17,20,29H,2,7-8,11-14,16H2,(H,26,27,30);2*1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29);2,4-9,14,16,27H,3,10-13,15H2,1H3,(H,24,25,28);1,3-6,8-9,13,15,22,26H,2,7,10-12,14H2,(H,24,25,27);2,4-7,9-10,12,14,21H,3,8,11,13H2,1H3,(H,23,24,25).

What are the key properties of 2-[3-[3-(2-hydroxyethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-[2-hydroxyethyl(methyl)amino]propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-hydroxypiperidin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(methylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;bis(2-[3-(3-piperazin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide)?

2-[3-[3-(2-hydroxyethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-[2-hydroxyethyl(methyl)amino]propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-hydroxypiperidin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(methylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;bis(2-[3-(3-piperazin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide) has a molecular weight of 2549.26 g/mol, XLogP of 18.92, 58 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(2-hydroxyethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-[2-hydroxyethyl(methyl)amino]propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(4-hydroxypiperidin-1-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(methylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;bis(2-[3-(3-piperazin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide) is sourced from PubChem (CID 161259152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).