1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;2-(3-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;4-(methylsulfonylmethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;2-(2-oxoquinoxalin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide

C102H79FN24O12S7 — CID 157290946

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;2-(3-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;4-(methylsulfonylmethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;2-(2-oxoquinoxalin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;2-(3-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;4-(methylsulfonylmethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;2-(2-oxoquinoxalin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide (PubChem CID 157290946) has the molecular formula C102H79FN24O12S7 and a molecular weight of 2076.38 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;2-(3-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;4-(methylsulfonylmethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;2-(2-oxoquinoxalin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide.

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;2-(3-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;4-(methylsulfonylmethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;2-(2-oxoquinoxalin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide
• PubChem CID: 157290946
• Molecular Formula: C102H79FN24O12S7
• Molecular Weight: 2076.38 g/mol
• Exact Mass: 2074.43
• 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;2-(3-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;4-(methylsulfonylmethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;2-(2-oxoquinoxalin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide
• SMILES: CS(=O)(=O)Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1.O=C(Cc1cccc(F)c1)Nc1nc(-c2ccccn2)cs1.O=C(Cn1c(=O)cnc2ccccc21)Nc1nc(-c2ccccn2)cs1.O=C(Nc1nc(-c2ccccn2)cs1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2nc[nH]c2c1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccncc1
• InChI: InChI=1S/C21H18N4O4S.C18H13N5O2S.C17H15N3O3S2.C16H12FN3OS.C16H11N5OS.C14H10N4OS/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;24-16(10-23-15-7-2-1-6-13(15)20-9-17(23)25)22-18-21-14(11-26-18)12-5-3-4-8-19-12;1-25(22,23)11-12-5-7-13(8-6-12)16(21)20-17-19-15(10-24-17)14-4-2-3-9-18-14;17-12-5-3-4-11(8-12)9-15(21)20-16-19-14(10-22-16)13-6-1-2-7-18-13;22-15(10-4-5-12-13(7-10)19-9-18-12)21-16-20-14(8-23-16)11-3-1-2-6-17-11;19-13(10-4-7-15-8-5-10)18-14-17-12(9-20-14)11-3-1-2-6-16-11/h1-6,10,12-13H,7-9,11H2,(H,23,24,27);1-9,11H,10H2,(H,21,22,24);2-10H,11H2,1H3,(H,19,20,21);1-8,10H,9H2,(H,19,20,21);1-9H,(H,18,19)(H,20,21,22);1-9H,(H,17,18,19)
• InChIKey: BAUITCIYLFUPCU-UHFFFAOYSA-N
• XLogP: 18.24
• TPSA: 478.65 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2076.38
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

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;2-(3-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;4-(methylsulfonylmethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;2-(2-oxoquinoxalin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide?

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;2-(3-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;4-(methylsulfonylmethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;2-(2-oxoquinoxalin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide (CID 157290946) 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;2-(3-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;4-(methylsulfonylmethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;2-(2-oxoquinoxalin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide.

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;2-(3-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;4-(methylsulfonylmethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;2-(2-oxoquinoxalin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide?

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;2-(3-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;4-(methylsulfonylmethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;2-(2-oxoquinoxalin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide is CS(=O)(=O)Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1.O=C(Cc1cccc(F)c1)Nc1nc(-c2ccccn2)cs1.O=C(Cn1c(=O)cnc2ccccc21)Nc1nc(-c2ccccn2)cs1.O=C(Nc1nc(-c2ccccn2)cs1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2nc[nH]c2c1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccncc1.

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;2-(3-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;4-(methylsulfonylmethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;2-(2-oxoquinoxalin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide?

The InChIKey is BAUITCIYLFUPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S.C18H13N5O2S.C17H15N3O3S2.C16H12FN3OS.C16H11N5OS.C14H10N4OS/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;24-16(10-23-15-7-2-1-6-13(15)20-9-17(23)25)22-18-21-14(11-26-18)12-5-3-4-8-19-12;1-25(22,23)11-12-5-7-13(8-6-12)16(21)20-17-19-15(10-24-17)14-4-2-3-9-18-14;17-12-5-3-4-11(8-12)9-15(21)20-16-19-14(10-22-16)13-6-1-2-7-18-13;22-15(10-4-5-12-13(7-10)19-9-18-12)21-16-20-14(8-23-16)11-3-1-2-6-17-11;19-13(10-4-7-15-8-5-10)18-14-17-12(9-20-14)11-3-1-2-6-16-11/h1-6,10,12-13H,7-9,11H2,(H,23,24,27);1-9,11H,10H2,(H,21,22,24);2-10H,11H2,1H3,(H,19,20,21);1-8,10H,9H2,(H,19,20,21);1-9H,(H,18,19)(H,20,21,22);1-9H,(H,17,18,19).

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;2-(3-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;4-(methylsulfonylmethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;2-(2-oxoquinoxalin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide?

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;2-(3-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;4-(methylsulfonylmethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;2-(2-oxoquinoxalin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 2076.38 g/mol, XLogP of 18.24, 23 rotatable bonds, 7 hydrogen bond donors, and 34 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;2-(3-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;4-(methylsulfonylmethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;2-(2-oxoquinoxalin-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide;N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 157290946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).