2-(1,3-benzodioxol-5-yl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(dimethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(3-morpholin-4-ylpropyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]acetamide

C132H145N23O15S6 — CID 159844552

About 2-(1,3-benzodioxol-5-yl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(dimethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(3-morpholin-4-ylpropyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]acetamide

2-(1,3-benzodioxol-5-yl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(dimethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(3-morpholin-4-ylpropyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]acetamide (PubChem CID 159844552) has the molecular formula C132H145N23O15S6 and a molecular weight of 2486.16 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(dimethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(3-morpholin-4-ylpropyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(dimethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(3-morpholin-4-ylpropyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]acetamide
• PubChem CID: 159844552
• Molecular Formula: C132H145N23O15S6
• Molecular Weight: 2486.16 g/mol
• Exact Mass: 2483.96
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(dimethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(3-morpholin-4-ylpropyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]acetamide
• SMILES: CN(C)CCCOc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1.COc1cccc(CC(=O)N(CCCN2CCOCC2)c2nc(-c3ccncc3)cs2)c1.O=C(Cc1cccc(OCCCN2CCCC2)c1)Nc1nc(-c2ccncc2)cs1.O=C(Cc1cccc(OCCCN2CCCCC2)c1)Nc1nc(-c2ccncc2)cs1.O=C(Cc1ccccc1)N(CCCN1CCOCC1)c1nc(-c2ccncc2)cs1.O=C(Nc1nc(-c2ccncc2)cs1)C(O)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C24H28N4O3S.C24H28N4O2S.2C23H26N4O2S.C21H24N4O2S.C17H13N3O4S/c1-30-21-5-2-4-19(16-21)17-23(29)28(11-3-10-27-12-14-31-15-13-27)24-26-22(18-32-24)20-6-8-25-9-7-20;29-23(27-24-26-22(18-31-24)20-8-10-25-11-9-20)17-19-6-4-7-21(16-19)30-15-5-14-28-12-2-1-3-13-28;28-22(26-23-25-21(17-30-23)19-7-9-24-10-8-19)16-18-5-3-6-20(15-18)29-14-4-13-27-11-1-2-12-27;28-22(17-19-5-2-1-3-6-19)27(12-4-11-26-13-15-29-16-14-26)23-25-21(18-30-23)20-7-9-24-10-8-20;1-25(2)11-4-12-27-18-6-3-5-16(13-18)14-20(26)24-21-23-19(15-28-21)17-7-9-22-10-8-17;21-15(11-1-2-13-14(7-11)24-9-23-13)16(22)20-17-19-12(8-25-17)10-3-5-18-6-4-10/h2,4-9,16,18H,3,10-15,17H2,1H3;4,6-11,16,18H,1-3,5,12-15,17H2,(H,26,27,29);3,5-10,15,17H,1-2,4,11-14,16H2,(H,25,26,28);1-3,5-10,18H,4,11-17H2;3,5-10,13,15H,4,11-12,14H2,1-2H3,(H,23,24,26);1-8,15,21H,9H2,(H,19,20,22)
• InChIKey: NPCYULOAMOTLIZ-UHFFFAOYSA-N
• XLogP: 22.23
• TPSA: 421.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 48
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2486.16
LogP ≤ 5	22.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(dimethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(3-morpholin-4-ylpropyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]acetamide?

The IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(dimethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(3-morpholin-4-ylpropyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]acetamide (CID 159844552) is 2-(1,3-benzodioxol-5-yl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(dimethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(3-morpholin-4-ylpropyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]acetamide.

What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(dimethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(3-morpholin-4-ylpropyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]acetamide?

The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(dimethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(3-morpholin-4-ylpropyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]acetamide is CN(C)CCCOc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1.COc1cccc(CC(=O)N(CCCN2CCOCC2)c2nc(-c3ccncc3)cs2)c1.O=C(Cc1cccc(OCCCN2CCCC2)c1)Nc1nc(-c2ccncc2)cs1.O=C(Cc1cccc(OCCCN2CCCCC2)c1)Nc1nc(-c2ccncc2)cs1.O=C(Cc1ccccc1)N(CCCN1CCOCC1)c1nc(-c2ccncc2)cs1.O=C(Nc1nc(-c2ccncc2)cs1)C(O)c1ccc2c(c1)OCO2.

What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(dimethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(3-morpholin-4-ylpropyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]acetamide?

The InChIKey is NPCYULOAMOTLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S.C24H28N4O2S.2C23H26N4O2S.C21H24N4O2S.C17H13N3O4S/c1-30-21-5-2-4-19(16-21)17-23(29)28(11-3-10-27-12-14-31-15-13-27)24-26-22(18-32-24)20-6-8-25-9-7-20;29-23(27-24-26-22(18-31-24)20-8-10-25-11-9-20)17-19-6-4-7-21(16-19)30-15-5-14-28-12-2-1-3-13-28;28-22(26-23-25-21(17-30-23)19-7-9-24-10-8-19)16-18-5-3-6-20(15-18)29-14-4-13-27-11-1-2-12-27;28-22(17-19-5-2-1-3-6-19)27(12-4-11-26-13-15-29-16-14-26)23-25-21(18-30-23)20-7-9-24-10-8-20;1-25(2)11-4-12-27-18-6-3-5-16(13-18)14-20(26)24-21-23-19(15-28-21)17-7-9-22-10-8-17;21-15(11-1-2-13-14(7-11)24-9-23-13)16(22)20-17-19-12(8-25-17)10-3-5-18-6-4-10/h2,4-9,16,18H,3,10-15,17H2,1H3;4,6-11,16,18H,1-3,5,12-15,17H2,(H,26,27,29);3,5-10,15,17H,1-2,4,11-14,16H2,(H,25,26,28);1-3,5-10,18H,4,11-17H2;3,5-10,13,15H,4,11-12,14H2,1-2H3,(H,23,24,26);1-8,15,21H,9H2,(H,19,20,22).

What are the key properties of 2-(1,3-benzodioxol-5-yl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(dimethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(3-morpholin-4-ylpropyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]acetamide?

2-(1,3-benzodioxol-5-yl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(dimethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(3-morpholin-4-ylpropyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]acetamide has a molecular weight of 2486.16 g/mol, XLogP of 22.23, 48 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yl)-2-hydroxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-[3-(dimethylamino)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(3-morpholin-4-ylpropyl)-2-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-[3-(3-piperidin-1-ylpropoxy)phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]acetamide is sourced from PubChem (CID 159844552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).