3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;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)-3-(pyrimidin-2-ylamino)propanamide

C95H89N35O8S — CID 162058276

About 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;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)-3-(pyrimidin-2-ylamino)propanamide

3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;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)-3-(pyrimidin-2-ylamino)propanamide (PubChem CID 162058276) has the molecular formula C95H89N35O8S and a molecular weight of 1881.06 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;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)-3-(pyrimidin-2-ylamino)propanamide.

Molecular Properties

• Compound Name: 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;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)-3-(pyrimidin-2-ylamino)propanamide
• PubChem CID: 162058276
• Molecular Formula: C95H89N35O8S
• Molecular Weight: 1881.06 g/mol
• Exact Mass: 1879.74
• IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;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)-3-(pyrimidin-2-ylamino)propanamide
• SMILES: CN1CCC(C(=O)Nc2n[nH]c(-c3ccccn3)n2)CC1=O.O=C(CCNc1ncccn1)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCc1ccccn1)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCc1nc2ccccc2s1)NC1=NN=C(c2ccccn2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC=CCC1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Oc2ccccc2)cc1
• InChI: InChI=1S/C20H15N5O2.C18H15N5OS.C15H14N6O.C14H14N8O.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;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;22-13(8-7-11-5-1-3-9-16-11)18-15-19-14(20-21-15)12-6-2-4-10-17-12;23-11(5-9-18-13-16-7-3-8-17-13)19-14-20-12(21-22-14)10-4-1-2-6-15-10;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);1-7,10H,8-9,11H2,(H,21,23,24);1-6,9-10H,7-8H2,(H2,18,19,20,21,22);1-4,6-8H,5,9H2,(H,16,17,18)(H2,19,20,21,22,23);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: YZLZCQCAUOPWJE-UHFFFAOYSA-N
• XLogP: 12.62
• TPSA: 577.64 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1881.06
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'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;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;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)-3-(pyrimidin-2-ylamino)propanamide?

The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;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)-3-(pyrimidin-2-ylamino)propanamide (CID 162058276) is 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;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)-3-(pyrimidin-2-ylamino)propanamide.

What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;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)-3-(pyrimidin-2-ylamino)propanamide?

The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;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)-3-(pyrimidin-2-ylamino)propanamide is CN1CCC(C(=O)Nc2n[nH]c(-c3ccccn3)n2)CC1=O.O=C(CCNc1ncccn1)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCc1ccccn1)Nc1n[nH]c(-c2ccccn2)n1.O=C(CCc1nc2ccccc2s1)NC1=NN=C(c2ccccn2)C1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1CC=CCC1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Oc2ccccc2)cc1.

What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;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)-3-(pyrimidin-2-ylamino)propanamide?

The InChIKey is YZLZCQCAUOPWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2.C18H15N5OS.C15H14N6O.C14H14N8O.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;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;22-13(8-7-11-5-1-3-9-16-11)18-15-19-14(20-21-15)12-6-2-4-10-17-12;23-11(5-9-18-13-16-7-3-8-17-13)19-14-20-12(21-22-14)10-4-1-2-6-15-10;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);1-7,10H,8-9,11H2,(H,21,23,24);1-6,9-10H,7-8H2,(H2,18,19,20,21,22);1-4,6-8H,5,9H2,(H,16,17,18)(H2,19,20,21,22,23);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;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;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)-3-(pyrimidin-2-ylamino)propanamide?

3-(1,3-benzothiazol-2-yl)-N-(5-pyridin-2-yl-4H-pyrazol-3-yl)propanamide;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;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)-3-(pyrimidin-2-ylamino)propanamide has a molecular weight of 1881.06 g/mol, XLogP of 12.62, 26 rotatable bonds, 12 hydrogen bond donors, and 32 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;1-methyl-2-oxo-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide;4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide;3-pyridin-2-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;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)-3-(pyrimidin-2-ylamino)propanamide is sourced from PubChem (CID 162058276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).