N-ethyl-3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-ethyl-2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-ethyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-(methanesulfonamido)phenyl]-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;[3-[2-[methyl-(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]phenyl] methanesulfonate;1-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]piperidin-2-one

C113H107F4N19O13S8 — CID 157324030

About N-ethyl-3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-ethyl-2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-ethyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-(methanesulfonamido)phenyl]-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;[3-[2-[methyl-(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]phenyl] methanesulfonate;1-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]piperidin-2-one

N-ethyl-3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-ethyl-2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-ethyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-(methanesulfonamido)phenyl]-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;[3-[2-[methyl-(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]phenyl] methanesulfonate;1-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]piperidin-2-one (PubChem CID 157324030) has the molecular formula C113H107F4N19O13S8 and a molecular weight of 2271.75 g/mol. Its IUPAC name is N-ethyl-3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-ethyl-2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-ethyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-(methanesulfonamido)phenyl]-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;[3-[2-[methyl-(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]phenyl] methanesulfonate;1-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]piperidin-2-one.

Molecular Properties

• Compound Name: N-ethyl-3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-ethyl-2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-ethyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-(methanesulfonamido)phenyl]-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;[3-[2-[methyl-(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]phenyl] methanesulfonate;1-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]piperidin-2-one
• PubChem CID: 157324030
• Molecular Formula: C113H107F4N19O13S8
• Molecular Weight: 2271.75 g/mol
• Exact Mass: 2269.60
• IUPAC Name: N-ethyl-3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-ethyl-2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-ethyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-(methanesulfonamido)phenyl]-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;[3-[2-[methyl-(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]phenyl] methanesulfonate;1-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]piperidin-2-one
• SMILES: CCN(C(=O)CCc1cccc(F)c1)c1nc(-c2ccncc2)cs1.CCN(C(=O)CCc1ccccc1)c1nc(-c2ccncc2)cs1.CCN(C(=O)Cc1cccc(OC)c1)c1nc(-c2ccncc2)cs1.CN(C(=O)Cc1cccc(NS(C)(=O)=O)c1)c1nc(-c2ccncc2)cs1.CN(C(=O)Cc1cccc(OS(C)(=O)=O)c1)c1nc(-c2ccncc2)cs1.O=C1C(c2cccc(OC(F)(F)F)c2)CCCN1c1nc(-c2ccncc2)cs1
• InChI: InChI=1S/C20H16F3N3O2S.C19H18FN3OS.C19H19N3O2S.C19H19N3OS.C18H18N4O3S2.C18H17N3O4S2/c21-20(22,23)28-15-4-1-3-14(11-15)16-5-2-10-26(18(16)27)19-25-17(12-29-19)13-6-8-24-9-7-13;1-2-23(18(24)7-6-14-4-3-5-16(20)12-14)19-22-17(13-25-19)15-8-10-21-11-9-15;1-3-22(18(23)12-14-5-4-6-16(11-14)24-2)19-21-17(13-25-19)15-7-9-20-10-8-15;1-2-22(18(23)9-8-15-6-4-3-5-7-15)19-21-17(14-24-19)16-10-12-20-13-11-16;1-22(18-20-16(12-26-18)14-6-8-19-9-7-14)17(23)11-13-4-3-5-15(10-13)21-27(2,24)25;1-21(18-20-16(12-26-18)14-6-8-19-9-7-14)17(22)11-13-4-3-5-15(10-13)25-27(2,23)24/h1,3-4,6-9,11-12,16H,2,5,10H2;3-5,8-13H,2,6-7H2,1H3;4-11,13H,3,12H2,1-2H3;3-7,10-14H,2,8-9H2,1H3;3-10,12,21H,11H2,1-2H3;3-10,12H,11H2,1-2H3
• InChIKey: BEMQPUMDEFJEMA-UHFFFAOYSA-N
• XLogP: 22.88
• TPSA: 384.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 34
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2271.75
LogP ≤ 5	22.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-ethyl-2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-ethyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-(methanesulfonamido)phenyl]-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;[3-[2-[methyl-(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]phenyl] methanesulfonate;1-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]piperidin-2-one?

The IUPAC name of N-ethyl-3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-ethyl-2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-ethyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-(methanesulfonamido)phenyl]-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;[3-[2-[methyl-(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]phenyl] methanesulfonate;1-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]piperidin-2-one (CID 157324030) is N-ethyl-3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-ethyl-2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-ethyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-(methanesulfonamido)phenyl]-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;[3-[2-[methyl-(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]phenyl] methanesulfonate;1-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]piperidin-2-one.

What is the SMILES notation for N-ethyl-3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-ethyl-2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-ethyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-(methanesulfonamido)phenyl]-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;[3-[2-[methyl-(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]phenyl] methanesulfonate;1-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]piperidin-2-one?

The canonical SMILES for N-ethyl-3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-ethyl-2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-ethyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-(methanesulfonamido)phenyl]-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;[3-[2-[methyl-(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]phenyl] methanesulfonate;1-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]piperidin-2-one is CCN(C(=O)CCc1cccc(F)c1)c1nc(-c2ccncc2)cs1.CCN(C(=O)CCc1ccccc1)c1nc(-c2ccncc2)cs1.CCN(C(=O)Cc1cccc(OC)c1)c1nc(-c2ccncc2)cs1.CN(C(=O)Cc1cccc(NS(C)(=O)=O)c1)c1nc(-c2ccncc2)cs1.CN(C(=O)Cc1cccc(OS(C)(=O)=O)c1)c1nc(-c2ccncc2)cs1.O=C1C(c2cccc(OC(F)(F)F)c2)CCCN1c1nc(-c2ccncc2)cs1.

What is the InChIKey of N-ethyl-3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-ethyl-2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-ethyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-(methanesulfonamido)phenyl]-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;[3-[2-[methyl-(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]phenyl] methanesulfonate;1-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]piperidin-2-one?

The InChIKey is BEMQPUMDEFJEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2S.C19H18FN3OS.C19H19N3O2S.C19H19N3OS.C18H18N4O3S2.C18H17N3O4S2/c21-20(22,23)28-15-4-1-3-14(11-15)16-5-2-10-26(18(16)27)19-25-17(12-29-19)13-6-8-24-9-7-13;1-2-23(18(24)7-6-14-4-3-5-16(20)12-14)19-22-17(13-25-19)15-8-10-21-11-9-15;1-3-22(18(23)12-14-5-4-6-16(11-14)24-2)19-21-17(13-25-19)15-7-9-20-10-8-15;1-2-22(18(23)9-8-15-6-4-3-5-7-15)19-21-17(14-24-19)16-10-12-20-13-11-16;1-22(18-20-16(12-26-18)14-6-8-19-9-7-14)17(23)11-13-4-3-5-15(10-13)21-27(2,24)25;1-21(18-20-16(12-26-18)14-6-8-19-9-7-14)17(22)11-13-4-3-5-15(10-13)25-27(2,23)24/h1,3-4,6-9,11-12,16H,2,5,10H2;3-5,8-13H,2,6-7H2,1H3;4-11,13H,3,12H2,1-2H3;3-7,10-14H,2,8-9H2,1H3;3-10,12,21H,11H2,1-2H3;3-10,12H,11H2,1-2H3.

What are the key properties of N-ethyl-3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-ethyl-2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-ethyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-(methanesulfonamido)phenyl]-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;[3-[2-[methyl-(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]phenyl] methanesulfonate;1-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]piperidin-2-one?

N-ethyl-3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-ethyl-2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-ethyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-(methanesulfonamido)phenyl]-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;[3-[2-[methyl-(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]phenyl] methanesulfonate;1-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]piperidin-2-one has a molecular weight of 2271.75 g/mol, XLogP of 22.88, 34 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-3-(3-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;N-ethyl-2-(3-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-ethyl-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide;2-[3-(methanesulfonamido)phenyl]-N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;[3-[2-[methyl-(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]phenyl] methanesulfonate;1-(4-pyridin-4-yl-1,3-thiazol-2-yl)-3-[3-(trifluoromethoxy)phenyl]piperidin-2-one is sourced from PubChem (CID 157324030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).