2-(3-ethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;5-(methylaminomethyl)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;[3-[2-oxo-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl] methanesulfonate;2-phenyl-6-(piperazin-1-ylmethyl)-4-(4-pyridin-4-yl-1,3-thiazol-2-yl)morpholin-3-one;(3R)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;2-(3-propan-2-yloxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide

C117H115N21O12S7 — CID 157189461

About 2-(3-ethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;5-(methylaminomethyl)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;[3-[2-oxo-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl] methanesulfonate;2-phenyl-6-(piperazin-1-ylmethyl)-4-(4-pyridin-4-yl-1,3-thiazol-2-yl)morpholin-3-one;(3R)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;2-(3-propan-2-yloxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide

2-(3-ethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;5-(methylaminomethyl)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;[3-[2-oxo-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl] methanesulfonate;2-phenyl-6-(piperazin-1-ylmethyl)-4-(4-pyridin-4-yl-1,3-thiazol-2-yl)morpholin-3-one;(3R)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;2-(3-propan-2-yloxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 157189461) has the molecular formula C117H115N21O12S7 and a molecular weight of 2231.81 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;5-(methylaminomethyl)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;[3-[2-oxo-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl] methanesulfonate;2-phenyl-6-(piperazin-1-ylmethyl)-4-(4-pyridin-4-yl-1,3-thiazol-2-yl)morpholin-3-one;(3R)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;2-(3-propan-2-yloxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(3-ethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;5-(methylaminomethyl)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;[3-[2-oxo-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl] methanesulfonate;2-phenyl-6-(piperazin-1-ylmethyl)-4-(4-pyridin-4-yl-1,3-thiazol-2-yl)morpholin-3-one;(3R)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;2-(3-propan-2-yloxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 157189461
• Molecular Formula: C117H115N21O12S7
• Molecular Weight: 2231.81 g/mol
• Exact Mass: 2229.71
• IUPAC Name: 2-(3-ethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;5-(methylaminomethyl)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;[3-[2-oxo-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl] methanesulfonate;2-phenyl-6-(piperazin-1-ylmethyl)-4-(4-pyridin-4-yl-1,3-thiazol-2-yl)morpholin-3-one;(3R)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;2-(3-propan-2-yloxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
• SMILES: CC(C)Oc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1.CCOc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1.CNCC1CC(c2ccccc2)C(=O)N(c2nc(-c3ccncc3)cs2)C1.CS(=O)(=O)Oc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1.O=C1C(c2ccccc2)OC(CN2CCNCC2)CN1c1nc(-c2ccncc2)cs1.O=C1[C@@H](c2ccccc2)CCCN1c1nc(-c2ccncc2)cs1
• InChI: InChI=1S/C23H25N5O2S.C21H22N4OS.C19H19N3O2S.C19H17N3OS.C18H17N3O2S.C17H15N3O4S2/c29-22-21(18-4-2-1-3-5-18)30-19(14-27-12-10-25-11-13-27)15-28(22)23-26-20(16-31-23)17-6-8-24-9-7-17;1-22-12-15-11-18(16-5-3-2-4-6-16)20(26)25(13-15)21-24-19(14-27-21)17-7-9-23-10-8-17;1-13(2)24-16-5-3-4-14(10-16)11-18(23)22-19-21-17(12-25-19)15-6-8-20-9-7-15;23-18-16(14-5-2-1-3-6-14)7-4-12-22(18)19-21-17(13-24-19)15-8-10-20-11-9-15;1-2-23-15-5-3-4-13(10-15)11-17(22)21-18-20-16(12-24-18)14-6-8-19-9-7-14;1-26(22,23)24-14-4-2-3-12(9-14)10-16(21)20-17-19-15(11-25-17)13-5-7-18-8-6-13/h1-9,16,19,21,25H,10-15H2;2-10,14-15,18,22H,11-13H2,1H3;3-10,12-13H,11H2,1-2H3,(H,21,22,23);1-3,5-6,8-11,13,16H,4,7,12H2;3-10,12H,2,11H2,1H3,(H,20,21,22);2-9,11H,10H2,1H3,(H,19,20,21)/t;;;16-;;/m...1../s1
• InChIKey: APNFOFBNDWGHGE-WWPSXCDTSA-N
• XLogP: 20.94
• TPSA: 401.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2231.81
LogP ≤ 5	20.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;5-(methylaminomethyl)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;[3-[2-oxo-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl] methanesulfonate;2-phenyl-6-(piperazin-1-ylmethyl)-4-(4-pyridin-4-yl-1,3-thiazol-2-yl)morpholin-3-one;(3R)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;2-(3-propan-2-yloxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-(3-ethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;5-(methylaminomethyl)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;[3-[2-oxo-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl] methanesulfonate;2-phenyl-6-(piperazin-1-ylmethyl)-4-(4-pyridin-4-yl-1,3-thiazol-2-yl)morpholin-3-one;(3R)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;2-(3-propan-2-yloxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide (CID 157189461) is 2-(3-ethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;5-(methylaminomethyl)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;[3-[2-oxo-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl] methanesulfonate;2-phenyl-6-(piperazin-1-ylmethyl)-4-(4-pyridin-4-yl-1,3-thiazol-2-yl)morpholin-3-one;(3R)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;2-(3-propan-2-yloxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-(3-ethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;5-(methylaminomethyl)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;[3-[2-oxo-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl] methanesulfonate;2-phenyl-6-(piperazin-1-ylmethyl)-4-(4-pyridin-4-yl-1,3-thiazol-2-yl)morpholin-3-one;(3R)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;2-(3-propan-2-yloxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-(3-ethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;5-(methylaminomethyl)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;[3-[2-oxo-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl] methanesulfonate;2-phenyl-6-(piperazin-1-ylmethyl)-4-(4-pyridin-4-yl-1,3-thiazol-2-yl)morpholin-3-one;(3R)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;2-(3-propan-2-yloxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide is CC(C)Oc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1.CCOc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1.CNCC1CC(c2ccccc2)C(=O)N(c2nc(-c3ccncc3)cs2)C1.CS(=O)(=O)Oc1cccc(CC(=O)Nc2nc(-c3ccncc3)cs2)c1.O=C1C(c2ccccc2)OC(CN2CCNCC2)CN1c1nc(-c2ccncc2)cs1.O=C1[C@@H](c2ccccc2)CCCN1c1nc(-c2ccncc2)cs1.

What is the InChIKey of 2-(3-ethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;5-(methylaminomethyl)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;[3-[2-oxo-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl] methanesulfonate;2-phenyl-6-(piperazin-1-ylmethyl)-4-(4-pyridin-4-yl-1,3-thiazol-2-yl)morpholin-3-one;(3R)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;2-(3-propan-2-yloxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?

The InChIKey is APNFOFBNDWGHGE-WWPSXCDTSA-N. The full InChI is InChI=1S/C23H25N5O2S.C21H22N4OS.C19H19N3O2S.C19H17N3OS.C18H17N3O2S.C17H15N3O4S2/c29-22-21(18-4-2-1-3-5-18)30-19(14-27-12-10-25-11-13-27)15-28(22)23-26-20(16-31-23)17-6-8-24-9-7-17;1-22-12-15-11-18(16-5-3-2-4-6-16)20(26)25(13-15)21-24-19(14-27-21)17-7-9-23-10-8-17;1-13(2)24-16-5-3-4-14(10-16)11-18(23)22-19-21-17(12-25-19)15-6-8-20-9-7-15;23-18-16(14-5-2-1-3-6-14)7-4-12-22(18)19-21-17(13-24-19)15-8-10-20-11-9-15;1-2-23-15-5-3-4-13(10-15)11-17(22)21-18-20-16(12-24-18)14-6-8-19-9-7-14;1-26(22,23)24-14-4-2-3-12(9-14)10-16(21)20-17-19-15(11-25-17)13-5-7-18-8-6-13/h1-9,16,19,21,25H,10-15H2;2-10,14-15,18,22H,11-13H2,1H3;3-10,12-13H,11H2,1-2H3,(H,21,22,23);1-3,5-6,8-11,13,16H,4,7,12H2;3-10,12H,2,11H2,1H3,(H,20,21,22);2-9,11H,10H2,1H3,(H,19,20,21)/t;;;16-;;/m...1../s1.

What are the key properties of 2-(3-ethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;5-(methylaminomethyl)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;[3-[2-oxo-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl] methanesulfonate;2-phenyl-6-(piperazin-1-ylmethyl)-4-(4-pyridin-4-yl-1,3-thiazol-2-yl)morpholin-3-one;(3R)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;2-(3-propan-2-yloxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide?

2-(3-ethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;5-(methylaminomethyl)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;[3-[2-oxo-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl] methanesulfonate;2-phenyl-6-(piperazin-1-ylmethyl)-4-(4-pyridin-4-yl-1,3-thiazol-2-yl)morpholin-3-one;(3R)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;2-(3-propan-2-yloxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 2231.81 g/mol, XLogP of 20.94, 31 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-ethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;5-(methylaminomethyl)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;[3-[2-oxo-2-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl] methanesulfonate;2-phenyl-6-(piperazin-1-ylmethyl)-4-(4-pyridin-4-yl-1,3-thiazol-2-yl)morpholin-3-one;(3R)-3-phenyl-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-2-one;2-(3-propan-2-yloxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 157189461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).