1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;3-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;1-(3-methoxyphenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone;6-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;2-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-quinoxalin-6-ylethanone

C145H109F2N31O17S9 — CID 163627405

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;3-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;1-(3-methoxyphenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone;6-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;2-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-quinoxalin-6-ylethanone

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;3-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;1-(3-methoxyphenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone;6-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;2-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-quinoxalin-6-ylethanone (PubChem CID 163627405) has the molecular formula C145H109F2N31O17S9 and a molecular weight of 2884.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;3-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;1-(3-methoxyphenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone;6-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;2-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-quinoxalin-6-ylethanone.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;3-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;1-(3-methoxyphenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone;6-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;2-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-quinoxalin-6-ylethanone
• PubChem CID: 163627405
• Molecular Formula: C145H109F2N31O17S9
• Molecular Weight: 2884.27 g/mol
• Exact Mass: 2881.61
• IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;3-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;1-(3-methoxyphenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone;6-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;2-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-quinoxalin-6-ylethanone
• SMILES: COc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cn1.COc1cccc(C(=O)Cc2nc(-c3ccccn3)cs2)c1.Cc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)no1.O=C(Cc1nc(-c2ccccn2)cs1)c1ccc2nccnc2c1.O=C(Nc1nc(-c2ccccn2)cs1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1.O=C(Nc1nc(-c2ccccn2)cs1)C1COc2ccccc2O1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)cc1.O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(F)c1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccccn1
• InChI: InChI=1S/C21H18N4O4S.C18H12N4OS.C17H13N3O3S.C17H14N2O2S.2C15H10FN3OS.C15H12N4O2S.C14H10N4OS.C13H10N4O2S/c26-19-9-13(11-25(19)14-4-5-17-18(10-14)29-8-7-28-17)20(27)24-21-23-16(12-30-21)15-3-1-2-6-22-15;23-17(12-4-5-14-15(9-12)21-8-7-20-14)10-18-22-16(11-24-18)13-3-1-2-6-19-13;21-16(15-9-22-13-6-1-2-7-14(13)23-15)20-17-19-12(10-24-17)11-5-3-4-8-18-11;1-21-13-6-4-5-12(9-13)16(20)10-17-19-15(11-22-17)14-7-2-3-8-18-14;16-11-5-3-4-10(8-11)14(20)19-15-18-13(9-21-15)12-6-1-2-7-17-12;16-11-6-4-10(5-7-11)14(20)19-15-18-13(9-21-15)12-3-1-2-8-17-12;1-21-13-6-5-10(8-17-13)14(20)19-15-18-12(9-22-15)11-4-2-3-7-16-11;19-13(11-6-2-4-8-16-11)18-14-17-12(9-20-14)10-5-1-3-7-15-10;1-8-6-10(17-19-8)12(18)16-13-15-11(7-20-13)9-4-2-3-5-14-9/h1-6,10,12-13H,7-9,11H2,(H,23,24,27);1-9,11H,10H2;1-8,10,15H,9H2,(H,19,20,21);2-9,11H,10H2,1H3;2*1-9H,(H,18,19,20);2-9H,1H3,(H,18,19,20);1-9H,(H,17,18,19);2-7H,1H3,(H,15,16,18)
• InChIKey: HTEKOGLMMZAFMP-UHFFFAOYSA-N
• XLogP: 28.82
• TPSA: 623.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 49
• Rotatable Bonds: 32
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2884.27
LogP ≤ 5	28.82
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;3-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;1-(3-methoxyphenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone;6-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;2-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-quinoxalin-6-ylethanone?

The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;3-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;1-(3-methoxyphenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone;6-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;2-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-quinoxalin-6-ylethanone (CID 163627405) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;3-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;1-(3-methoxyphenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone;6-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;2-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-quinoxalin-6-ylethanone.

What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;3-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;1-(3-methoxyphenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone;6-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;2-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-quinoxalin-6-ylethanone?

The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;3-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;1-(3-methoxyphenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone;6-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;2-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-quinoxalin-6-ylethanone is COc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cn1.COc1cccc(C(=O)Cc2nc(-c3ccccn3)cs2)c1.Cc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)no1.O=C(Cc1nc(-c2ccccn2)cs1)c1ccc2nccnc2c1.O=C(Nc1nc(-c2ccccn2)cs1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1.O=C(Nc1nc(-c2ccccn2)cs1)C1COc2ccccc2O1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)cc1.O=C(Nc1nc(-c2ccccn2)cs1)c1cccc(F)c1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccccn1.

What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;3-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;1-(3-methoxyphenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone;6-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;2-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-quinoxalin-6-ylethanone?

The InChIKey is HTEKOGLMMZAFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S.C18H12N4OS.C17H13N3O3S.C17H14N2O2S.2C15H10FN3OS.C15H12N4O2S.C14H10N4OS.C13H10N4O2S/c26-19-9-13(11-25(19)14-4-5-17-18(10-14)29-8-7-28-17)20(27)24-21-23-16(12-30-21)15-3-1-2-6-22-15;23-17(12-4-5-14-15(9-12)21-8-7-20-14)10-18-22-16(11-24-18)13-3-1-2-6-19-13;21-16(15-9-22-13-6-1-2-7-14(13)23-15)20-17-19-12(10-24-17)11-5-3-4-8-18-11;1-21-13-6-4-5-12(9-13)16(20)10-17-19-15(11-22-17)14-7-2-3-8-18-14;16-11-5-3-4-10(8-11)14(20)19-15-18-13(9-21-15)12-6-1-2-7-17-12;16-11-6-4-10(5-7-11)14(20)19-15-18-13(9-21-15)12-3-1-2-8-17-12;1-21-13-6-5-10(8-17-13)14(20)19-15-18-12(9-22-15)11-4-2-3-7-16-11;19-13(11-6-2-4-8-16-11)18-14-17-12(9-20-14)10-5-1-3-7-15-10;1-8-6-10(17-19-8)12(18)16-13-15-11(7-20-13)9-4-2-3-5-14-9/h1-6,10,12-13H,7-9,11H2,(H,23,24,27);1-9,11H,10H2;1-8,10,15H,9H2,(H,19,20,21);2-9,11H,10H2,1H3;2*1-9H,(H,18,19,20);2-9H,1H3,(H,18,19,20);1-9H,(H,17,18,19);2-7H,1H3,(H,15,16,18).

What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;3-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;1-(3-methoxyphenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone;6-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;2-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-quinoxalin-6-ylethanone?

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;3-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;1-(3-methoxyphenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone;6-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;2-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-quinoxalin-6-ylethanone has a molecular weight of 2884.27 g/mol, XLogP of 28.82, 32 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;3-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;1-(3-methoxyphenyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanone;6-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;2-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-quinoxalin-6-ylethanone is sourced from PubChem (CID 163627405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).