2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide

C136H117ClF3N43O14S2 — CID 162143470

About 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide

2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 162143470) has the molecular formula C136H117ClF3N43O14S2 and a molecular weight of 2734.30 g/mol. Its IUPAC name is 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
• PubChem CID: 162143470
• Molecular Formula: C136H117ClF3N43O14S2
• Molecular Weight: 2734.30 g/mol
• Exact Mass: 2731.88
• IUPAC Name: 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
• SMILES: CC(C)(C)c1nc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cs1.CC(Oc1ccccc1Cl)C(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(CC1=NN=C(c2ccccn2)C1)c1ccc2c(c1)CCO2.O=C(CCc1cnn(-c2ccccc2)c1)Nc1n[nH]c(-c2ccccn2)n1.O=C(COc1ccccc1)Nc1n[nH]c(-c2ccccn2)n1.O=C(NC1=NN=C(c2ccccn2)C1)C1=NOC(c2ccccc2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1csc(-c2ccco2)n1
• InChI: InChI=1S/C20H17F3N6O2.C19H17N7O.C18H15N5O2.C18H15N3O2.C16H14ClN5O2.C15H10N6O2S.C15H16N6OS.C15H13N5O2/c21-20(22,23)14-5-3-4-12(8-14)10-29-11-13(9-16(29)30)18(31)26-19-25-17(27-28-19)15-6-1-2-7-24-15;27-17(22-19-23-18(24-25-19)16-8-4-5-11-20-16)10-9-14-12-21-26(13-14)15-6-2-1-3-7-15;24-18(15-10-16(25-23-15)12-6-2-1-3-7-12)20-17-11-14(21-22-17)13-8-4-5-9-19-13;22-17(12-4-5-18-13(9-12)6-8-23-18)11-14-10-16(21-20-14)15-3-1-2-7-19-15;1-10(24-13-8-3-2-6-11(13)17)15(23)20-16-19-14(21-22-16)12-7-4-5-9-18-12;22-13(10-8-24-14(17-10)11-5-3-7-23-11)19-15-18-12(20-21-15)9-4-1-2-6-16-9;1-15(2,3)13-17-10(8-23-13)12(22)19-14-18-11(20-21-14)9-6-4-5-7-16-9;21-13(10-22-11-6-2-1-3-7-11)17-15-18-14(19-20-15)12-8-4-5-9-16-12/h1-8,13H,9-11H2,(H2,25,26,27,28,31);1-8,11-13H,9-10H2,(H2,22,23,24,25,27);1-9,16H,10-11H2,(H,20,22,24);1-5,7,9H,6,8,10-11H2;2-10H,1H3,(H2,19,20,21,22,23);1-8H,(H2,18,19,20,21,22);4-8H,1-3H3,(H2,18,19,20,21,22);1-9H,10H2,(H2,17,18,19,20,21)
• InChIKey: ZKFWJBXARSDHQP-UHFFFAOYSA-N
• XLogP: 21.08
• TPSA: 749.08 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 45
• Rotatable Bonds: 35
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2734.30
LogP ≤ 5	21.08
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?

The IUPAC name of 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 162143470) is 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?

The canonical SMILES for 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide is CC(C)(C)c1nc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cs1.CC(Oc1ccccc1Cl)C(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(CC1=NN=C(c2ccccn2)C1)c1ccc2c(c1)CCO2.O=C(CCc1cnn(-c2ccccc2)c1)Nc1n[nH]c(-c2ccccn2)n1.O=C(COc1ccccc1)Nc1n[nH]c(-c2ccccn2)n1.O=C(NC1=NN=C(c2ccccn2)C1)C1=NOC(c2ccccc2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1csc(-c2ccco2)n1.

What is the InChIKey of 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?

The InChIKey is ZKFWJBXARSDHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O2.C19H17N7O.C18H15N5O2.C18H15N3O2.C16H14ClN5O2.C15H10N6O2S.C15H16N6OS.C15H13N5O2/c21-20(22,23)14-5-3-4-12(8-14)10-29-11-13(9-16(29)30)18(31)26-19-25-17(27-28-19)15-6-1-2-7-24-15;27-17(22-19-23-18(24-25-19)16-8-4-5-11-20-16)10-9-14-12-21-26(13-14)15-6-2-1-3-7-15;24-18(15-10-16(25-23-15)12-6-2-1-3-7-12)20-17-11-14(21-22-17)13-8-4-5-9-19-13;22-17(12-4-5-18-13(9-12)6-8-23-18)11-14-10-16(21-20-14)15-3-1-2-7-19-15;1-10(24-13-8-3-2-6-11(13)17)15(23)20-16-19-14(21-22-16)12-7-4-5-9-18-12;22-13(10-8-24-14(17-10)11-5-3-7-23-11)19-15-18-12(20-21-15)9-4-1-2-6-16-9;1-15(2,3)13-17-10(8-23-13)12(22)19-14-18-11(20-21-14)9-6-4-5-7-16-9;21-13(10-22-11-6-2-1-3-7-11)17-15-18-14(19-20-15)12-8-4-5-9-16-12/h1-8,13H,9-11H2,(H2,25,26,27,28,31);1-8,11-13H,9-10H2,(H2,22,23,24,25,27);1-9,16H,10-11H2,(H,20,22,24);1-5,7,9H,6,8,10-11H2;2-10H,1H3,(H2,19,20,21,22,23);1-8H,(H2,18,19,20,21,22);4-8H,1-3H3,(H2,18,19,20,21,22);1-9H,10H2,(H2,17,18,19,20,21).

What are the key properties of 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?

2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 2734.30 g/mol, XLogP of 21.08, 35 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;2-(2-chlorophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(furan-2-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide;5-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(1-phenylpyrazol-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;5-phenyl-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 162143470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).