2-[[4-benzyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

C137H121F4N31O6S6 — CID 157244753

About 2-[[4-benzyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

2-[[4-benzyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide (PubChem CID 157244753) has the molecular formula C137H121F4N31O6S6 and a molecular weight of 2566.08 g/mol. Its IUPAC name is 2-[[4-benzyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide.

Molecular Properties

• Compound Name: 2-[[4-benzyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
• PubChem CID: 157244753
• Molecular Formula: C137H121F4N31O6S6
• Molecular Weight: 2566.08 g/mol
• Exact Mass: 2563.84
• IUPAC Name: 2-[[4-benzyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
• SMILES: CC(Sc1nnc(-c2ccccn2)n1C(C)c1ccccc1)C(=O)Nc1ccccc1.CC(c1ccccc1)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1.CN(C)c1ccc(Cn2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccn2)cc1.O=C(CSc1nnc(-c2ccc(F)cn2)n1Cc1ccccc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccn2)n1C(F)(F)c1ccccc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccn2)n1Cc1ccc(F)cc1)Nc1ccccc1
• InChI: InChI=1S/C24H24N6OS.C24H23N5OS.C23H21N5OS.C22H17F2N5OS.2C22H18FN5OS/c1-29(2)20-13-11-18(12-14-20)16-30-23(21-10-6-7-15-25-21)27-28-24(30)32-17-22(31)26-19-8-4-3-5-9-19;1-17(19-11-5-3-6-12-19)29-22(21-15-9-10-16-25-21)27-28-24(29)31-18(2)23(30)26-20-13-7-4-8-14-20;1-17(18-10-4-2-5-11-18)28-22(20-14-8-9-15-24-20)26-27-23(28)30-16-21(29)25-19-12-6-3-7-13-19;23-22(24,16-9-3-1-4-10-16)29-20(18-13-7-8-14-25-18)27-28-21(29)31-15-19(30)26-17-11-5-2-6-12-17;23-17-11-12-19(24-13-17)21-26-27-22(28(21)14-16-7-3-1-4-8-16)30-15-20(29)25-18-9-5-2-6-10-18;23-17-11-9-16(10-12-17)14-28-21(19-8-4-5-13-24-19)26-27-22(28)30-15-20(29)25-18-6-2-1-3-7-18/h3-15H,16-17H2,1-2H3,(H,26,31);3-18H,1-2H3,(H,26,30);2-15,17H,16H2,1H3,(H,25,29);1-14H,15H2,(H,26,30);2*1-13H,14-15H2,(H,25,29)
• InChIKey: AVPXOKDVKFANBS-UHFFFAOYSA-N
• XLogP: 27.12
• TPSA: 439.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 43
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2566.08
LogP ≤ 5	27.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-benzyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?

The IUPAC name of 2-[[4-benzyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide (CID 157244753) is 2-[[4-benzyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide.

What is the SMILES notation for 2-[[4-benzyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?

The canonical SMILES for 2-[[4-benzyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide is CC(Sc1nnc(-c2ccccn2)n1C(C)c1ccccc1)C(=O)Nc1ccccc1.CC(c1ccccc1)n1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1.CN(C)c1ccc(Cn2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccn2)cc1.O=C(CSc1nnc(-c2ccc(F)cn2)n1Cc1ccccc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccn2)n1C(F)(F)c1ccccc1)Nc1ccccc1.O=C(CSc1nnc(-c2ccccn2)n1Cc1ccc(F)cc1)Nc1ccccc1.

What is the InChIKey of 2-[[4-benzyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?

The InChIKey is AVPXOKDVKFANBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6OS.C24H23N5OS.C23H21N5OS.C22H17F2N5OS.2C22H18FN5OS/c1-29(2)20-13-11-18(12-14-20)16-30-23(21-10-6-7-15-25-21)27-28-24(30)32-17-22(31)26-19-8-4-3-5-9-19;1-17(19-11-5-3-6-12-19)29-22(21-15-9-10-16-25-21)27-28-24(29)31-18(2)23(30)26-20-13-7-4-8-14-20;1-17(18-10-4-2-5-11-18)28-22(20-14-8-9-15-24-20)26-27-23(28)30-16-21(29)25-19-12-6-3-7-13-19;23-22(24,16-9-3-1-4-10-16)29-20(18-13-7-8-14-25-18)27-28-21(29)31-15-19(30)26-17-11-5-2-6-12-17;23-17-11-12-19(24-13-17)21-26-27-22(28(21)14-16-7-3-1-4-8-16)30-15-20(29)25-18-9-5-2-6-10-18;23-17-11-9-16(10-12-17)14-28-21(19-8-4-5-13-24-19)26-27-22(28)30-15-20(29)25-18-6-2-1-3-7-18/h3-15H,16-17H2,1-2H3,(H,26,31);3-18H,1-2H3,(H,26,30);2-15,17H,16H2,1H3,(H,25,29);1-14H,15H2,(H,26,30);2*1-13H,14-15H2,(H,25,29).

What are the key properties of 2-[[4-benzyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide?

2-[[4-benzyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide has a molecular weight of 2566.08 g/mol, XLogP of 27.12, 43 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-benzyl-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[difluoro(phenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[[4-(dimethylamino)phenyl]methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[4-[(4-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide;N-phenyl-2-[[4-(1-phenylethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide is sourced from PubChem (CID 157244753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).