3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;6-(3,5-dimethylpyrazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;3-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4H-1,4-benzoxazine-8-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C135H125N47O12S — CID 167591420

About 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;6-(3,5-dimethylpyrazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;3-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4H-1,4-benzoxazine-8-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;6-(3,5-dimethylpyrazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;3-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4H-1,4-benzoxazine-8-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 167591420) has the molecular formula C135H125N47O12S and a molecular weight of 2629.87 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;6-(3,5-dimethylpyrazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;3-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4H-1,4-benzoxazine-8-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

• Compound Name: 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;6-(3,5-dimethylpyrazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;3-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4H-1,4-benzoxazine-8-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
• PubChem CID: 167591420
• Molecular Formula: C135H125N47O12S
• Molecular Weight: 2629.87 g/mol
• Exact Mass: 2628.03
• IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;6-(3,5-dimethylpyrazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;3-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4H-1,4-benzoxazine-8-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
• SMILES: CN1CCC(C(=O)Nc2n[nH]c(-c3ccccn3)n2)CC1=O.Cc1cc(C)n(-c2ccc(C(=O)Nc3n[nH]c(-c4ccccn4)n3)cn2)n1.O=C(CCCCc1ncccn1)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCc1nc2ccccc2s1)NC1=NN=C(c2ccccn2)C1.O=C(Cc1ccc2c(c1)CCCC2)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC=CCC1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Oc2ccccc2)cc1.O=C1COc2c(cccc2C(=O)Nc2n[nH]c(-c3ccccn3)n2)N1
• InChI: InChI=1S/C20H15N5O2.C19H19N5O.C18H16N8O.C18H15N5OS.C16H17N7O.C16H12N6O3.C14H16N6O2.C14H15N5O/c26-19(23-20-22-18(24-25-20)17-8-4-5-13-21-17)14-9-11-16(12-10-14)27-15-6-2-1-3-7-15;25-17(12-13-8-9-14-5-1-2-6-15(14)11-13)21-19-22-18(23-24-19)16-7-3-4-10-20-16;1-11-9-12(2)26(25-11)15-7-6-13(10-20-15)17(27)22-18-21-16(23-24-18)14-5-3-4-8-19-14;24-17(8-9-18-20-13-6-1-2-7-15(13)25-18)21-16-11-14(22-23-16)12-5-3-4-10-19-12;24-14(8-2-1-7-13-18-10-5-11-19-13)20-16-21-15(22-23-16)12-6-3-4-9-17-12;23-12-8-25-13-9(4-3-6-10(13)18-12)15(24)20-16-19-14(21-22-16)11-5-1-2-7-17-11;1-20-7-5-9(8-11(20)21)13(22)17-14-16-12(18-19-14)10-4-2-3-6-15-10;20-13(10-6-2-1-3-7-10)17-14-16-12(18-19-14)11-8-4-5-9-15-11/h1-13H,(H2,22,23,24,25,26);3-4,7-11H,1-2,5-6,12H2,(H2,21,22,23,24,25);3-10H,1-2H3,(H2,21,22,23,24,27);1-7,10H,8-9,11H2,(H,21,23,24);3-6,9-11H,1-2,7-8H2,(H2,20,21,22,23,24);1-7H,8H2,(H,18,23)(H2,19,20,21,22,24);2-4,6,9H,5,7-8H2,1H3,(H2,16,17,18,19,22);1-2,4-5,8-10H,3,6-7H2,(H2,16,17,18,19,20)
• InChIKey: IMHKVLIFBZBWAO-UHFFFAOYSA-N
• XLogP: 18.39
• TPSA: 788.88 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 43
• Rotatable Bonds: 33
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2629.87
LogP ≤ 5	18.39
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;6-(3,5-dimethylpyrazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;3-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4H-1,4-benzoxazine-8-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?

The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;6-(3,5-dimethylpyrazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;3-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4H-1,4-benzoxazine-8-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 167591420) is 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;6-(3,5-dimethylpyrazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;3-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4H-1,4-benzoxazine-8-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;6-(3,5-dimethylpyrazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;3-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4H-1,4-benzoxazine-8-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?

The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;6-(3,5-dimethylpyrazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;3-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4H-1,4-benzoxazine-8-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is CN1CCC(C(=O)Nc2n[nH]c(-c3ccccn3)n2)CC1=O.Cc1cc(C)n(-c2ccc(C(=O)Nc3n[nH]c(-c4ccccn4)n3)cn2)n1.O=C(CCCCc1ncccn1)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCc1nc2ccccc2s1)NC1=NN=C(c2ccccn2)C1.O=C(Cc1ccc2c(c1)CCCC2)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC=CCC1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Oc2ccccc2)cc1.O=C1COc2c(cccc2C(=O)Nc2n[nH]c(-c3ccccn3)n2)N1.

What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;6-(3,5-dimethylpyrazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;3-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4H-1,4-benzoxazine-8-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?

The InChIKey is IMHKVLIFBZBWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2.C19H19N5O.C18H16N8O.C18H15N5OS.C16H17N7O.C16H12N6O3.C14H16N6O2.C14H15N5O/c26-19(23-20-22-18(24-25-20)17-8-4-5-13-21-17)14-9-11-16(12-10-14)27-15-6-2-1-3-7-15;25-17(12-13-8-9-14-5-1-2-6-15(14)11-13)21-19-22-18(23-24-19)16-7-3-4-10-20-16;1-11-9-12(2)26(25-11)15-7-6-13(10-20-15)17(27)22-18-21-16(23-24-18)14-5-3-4-8-19-14;24-17(8-9-18-20-13-6-1-2-7-15(13)25-18)21-16-11-14(22-23-16)12-5-3-4-10-19-12;24-14(8-2-1-7-13-18-10-5-11-19-13)20-16-21-15(22-23-16)12-6-3-4-9-17-12;23-12-8-25-13-9(4-3-6-10(13)18-12)15(24)20-16-19-14(21-22-16)11-5-1-2-7-17-11;1-20-7-5-9(8-11(20)21)13(22)17-14-16-12(18-19-14)10-4-2-3-6-15-10;20-13(10-6-2-1-3-7-10)17-14-16-12(18-19-14)11-8-4-5-9-15-11/h1-13H,(H2,22,23,24,25,26);3-4,7-11H,1-2,5-6,12H2,(H2,21,22,23,24,25);3-10H,1-2H3,(H2,21,22,23,24,27);1-7,10H,8-9,11H2,(H,21,23,24);3-6,9-11H,1-2,7-8H2,(H2,20,21,22,23,24);1-7H,8H2,(H,18,23)(H2,19,20,21,22,24);2-4,6,9H,5,7-8H2,1H3,(H2,16,17,18,19,22);1-2,4-5,8-10H,3,6-7H2,(H2,16,17,18,19,20).

What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;6-(3,5-dimethylpyrazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;3-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4H-1,4-benzoxazine-8-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?

3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;6-(3,5-dimethylpyrazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;3-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4H-1,4-benzoxazine-8-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 2629.87 g/mol, XLogP of 18.39, 33 rotatable bonds, 16 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;6-(3,5-dimethylpyrazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;3-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-4H-1,4-benzoxazine-8-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-pyrimidin-2-ylpentanamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 167591420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).