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;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;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;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C102H95ClN34O11S3 — CID 162150509

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;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;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;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-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;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;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;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 162150509) has the molecular formula C102H95ClN34O11S3 and a molecular weight of 2104.76 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;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;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;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-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;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;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;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
• PubChem CID: 162150509
• Molecular Formula: C102H95ClN34O11S3
• Molecular Weight: 2104.76 g/mol
• Exact Mass: 2102.68
• 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;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;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;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
• SMILES: CC(C)(C)c1nc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cs1.CC(Oc1ccccc1Cl)C(=O)Nc1n[nH]c(-c2ccccn2)n1.Cc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1S(C)(=O)=O.O=C(CCc1cnn(-c2ccccc2)c1)Nc1n[nH]c(-c2ccccn2)n1.O=C(NC1=NN=C(c2ccccn2)C1)C1=NOC(c2ccccc2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CCCN(C(=O)c2cccs2)C1
• InChI: InChI=1S/C19H17N7O.C18H18N6O2S.C18H15N5O2.C16H14ClN5O2.C16H15N5O3S.C15H16N6OS/c27-17(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;25-16(21-18-20-15(22-23-18)13-6-1-2-8-19-13)12-5-3-9-24(11-12)17(26)14-7-4-10-27-14;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;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;1-10-6-7-11(9-13(10)25(2,23)24)15(22)19-16-18-14(20-21-16)12-5-3-4-8-17-12;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/h1-8,11-13H,9-10H2,(H2,22,23,24,25,27);1-2,4,6-8,10,12H,3,5,9,11H2,(H2,20,21,22,23,25);1-9,16H,10-11H2,(H,20,22,24);2-10H,1H3,(H2,19,20,21,22,23);3-9H,1-2H3,(H2,18,19,20,21,22);4-8H,1-3H3,(H2,18,19,20,21,22)
• InChIKey: ZLDKGWKMTBCNCL-UHFFFAOYSA-N
• XLogP: 14.89
• TPSA: 600.49 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2104.76
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

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;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;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;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-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;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;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;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 162150509) 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;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;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;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-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;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;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;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-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;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;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;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CC(C)(C)c1nc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cs1.CC(Oc1ccccc1Cl)C(=O)Nc1n[nH]c(-c2ccccn2)n1.Cc1ccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1S(C)(=O)=O.O=C(CCc1cnn(-c2ccccc2)c1)Nc1n[nH]c(-c2ccccn2)n1.O=C(NC1=NN=C(c2ccccn2)C1)C1=NOC(c2ccccc2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CCCN(C(=O)c2cccs2)C1.

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;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;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;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?

The InChIKey is ZLDKGWKMTBCNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O.C18H18N6O2S.C18H15N5O2.C16H14ClN5O2.C16H15N5O3S.C15H16N6OS/c27-17(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;25-16(21-18-20-15(22-23-18)13-6-1-2-8-19-13)12-5-3-9-24(11-12)17(26)14-7-4-10-27-14;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;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;1-10-6-7-11(9-13(10)25(2,23)24)15(22)19-16-18-14(20-21-16)12-5-3-4-8-17-12;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/h1-8,11-13H,9-10H2,(H2,22,23,24,25,27);1-2,4,6-8,10,12H,3,5,9,11H2,(H2,20,21,22,23,25);1-9,16H,10-11H2,(H,20,22,24);2-10H,1H3,(H2,19,20,21,22,23);3-9H,1-2H3,(H2,18,19,20,21,22);4-8H,1-3H3,(H2,18,19,20,21,22).

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;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;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;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-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;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;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;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 2104.76 g/mol, XLogP of 14.89, 25 rotatable bonds, 11 hydrogen bond donors, and 35 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;4-methyl-3-methylsulfonyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;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;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 162150509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).