3-[3-[[5-[4-(3-fluorophenoxy)phenyl]-1H-imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine;N-[4-(4-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(4-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C₁₃₄H₁₀₉F₂N₂₇O₁₁S₈ — CID 158083362

About 3-[3-[[5-[4-(3-fluorophenoxy)phenyl]-1H-imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine;N-[4-(4-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(4-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

3-[3-[[5-[4-(3-fluorophenoxy)phenyl]-1H-imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine;N-[4-(4-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(4-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 158083362) has the molecular formula C₁₃₄H₁₀₉F₂N₂₇O₁₁S₈ and a molecular weight of 2568.06 g/mol. Its IUPAC name is 3-[3-[[5-[4-(3-fluorophenoxy)phenyl]-1H-imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine;N-[4-(4-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(4-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: 3-[3-[[5-[4-(3-fluorophenoxy)phenyl]-1H-imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine;N-[4-(4-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(4-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
• PubChem CID: 158083362
• Molecular Formula: C₁₃₄H₁₀₉F₂N₂₇O₁₁S₈
• Molecular Weight: 2568.06 g/mol
• Exact Mass: 2565.65
• IUPAC Name: 3-[3-[[5-[4-(3-fluorophenoxy)phenyl]-1H-imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine;N-[4-(4-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(4-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
• SMILES: Cc1ccc(Oc2ccc(NC(=O)CSc3n[nH]c(-c4cccnc4)n3)cc2)cc1.Cc1cccc(Oc2ccc(NC(=O)CSc3n[nH]c(-c4cccnc4)n3)cc2)c1.Cc1cccc(Oc2ccc(NC(=O)CSc3nc(-c4cccnc4)cs3)cc2)c1.Cc1cccc(Oc2ccc(NC(=O)CSc3ncc(-c4cccnc4)s3)cc2)c1.Fc1cccc(Oc2ccc(-c3cnc(CSc4n[nH]c(-c5cccnc5)n4)[nH]3)cc2)c1.O=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1ccc(Oc2ccc(F)cc2)cc1
• InChI: InChI=1S/C23H17FN6OS.2C23H19N3O2S2.2C22H19N5O2S.C21H16FN5O2S/c24-17-4-1-5-19(11-17)31-18-8-6-15(7-9-18)20-13-26-21(27-20)14-32-23-28-22(29-30-23)16-3-2-10-25-12-16;1-16-4-2-6-20(12-16)28-19-9-7-18(8-10-19)25-22(27)15-30-23-26-21(14-29-23)17-5-3-11-24-13-17;1-16-4-2-6-20(12-16)28-19-9-7-18(8-10-19)26-22(27)15-29-23-25-14-21(30-23)17-5-3-11-24-13-17;1-15-4-2-6-19(12-15)29-18-9-7-17(8-10-18)24-20(28)14-30-22-25-21(26-27-22)16-5-3-11-23-13-16;1-15-4-8-18(9-5-15)29-19-10-6-17(7-11-19)24-20(28)14-30-22-25-21(26-27-22)16-3-2-12-23-13-16;22-15-3-7-17(8-4-15)29-18-9-5-16(6-10-18)24-19(28)13-30-21-25-20(26-27-21)14-2-1-11-23-12-14/h1-13H,14H2,(H,26,27)(H,28,29,30);2-14H,15H2,1H3,(H,25,27);2-14H,15H2,1H3,(H,26,27);2*2-13H,14H2,1H3,(H,24,28)(H,25,26,27);1-12H,13H2,(H,24,28)(H,25,26,27)
• InChIKey: FNFHTYBSOIJGNV-UHFFFAOYSA-N
• XLogP: 31.48
• TPSA: 498.96 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 42
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2568.06
LogP ≤ 5	31.48
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[5-[4-(3-fluorophenoxy)phenyl]-1H-imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine;N-[4-(4-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(4-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The IUPAC name of 3-[3-[[5-[4-(3-fluorophenoxy)phenyl]-1H-imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine;N-[4-(4-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(4-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 158083362) is 3-[3-[[5-[4-(3-fluorophenoxy)phenyl]-1H-imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine;N-[4-(4-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(4-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

What is the SMILES notation for 3-[3-[[5-[4-(3-fluorophenoxy)phenyl]-1H-imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine;N-[4-(4-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(4-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The canonical SMILES for 3-[3-[[5-[4-(3-fluorophenoxy)phenyl]-1H-imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine;N-[4-(4-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(4-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1ccc(Oc2ccc(NC(=O)CSc3n[nH]c(-c4cccnc4)n3)cc2)cc1.Cc1cccc(Oc2ccc(NC(=O)CSc3n[nH]c(-c4cccnc4)n3)cc2)c1.Cc1cccc(Oc2ccc(NC(=O)CSc3nc(-c4cccnc4)cs3)cc2)c1.Cc1cccc(Oc2ccc(NC(=O)CSc3ncc(-c4cccnc4)s3)cc2)c1.Fc1cccc(Oc2ccc(-c3cnc(CSc4n[nH]c(-c5cccnc5)n4)[nH]3)cc2)c1.O=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1ccc(Oc2ccc(F)cc2)cc1.

What is the InChIKey of 3-[3-[[5-[4-(3-fluorophenoxy)phenyl]-1H-imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine;N-[4-(4-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(4-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?

The InChIKey is FNFHTYBSOIJGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6OS.2C23H19N3O2S2.2C22H19N5O2S.C21H16FN5O2S/c24-17-4-1-5-19(11-17)31-18-8-6-15(7-9-18)20-13-26-21(27-20)14-32-23-28-22(29-30-23)16-3-2-10-25-12-16;1-16-4-2-6-20(12-16)28-19-9-7-18(8-10-19)25-22(27)15-30-23-26-21(14-29-23)17-5-3-11-24-13-17;1-16-4-2-6-20(12-16)28-19-9-7-18(8-10-19)26-22(27)15-29-23-25-14-21(30-23)17-5-3-11-24-13-17;1-15-4-2-6-19(12-15)29-18-9-7-17(8-10-18)24-20(28)14-30-22-25-21(26-27-22)16-5-3-11-23-13-16;1-15-4-8-18(9-5-15)29-19-10-6-17(7-11-19)24-20(28)14-30-22-25-21(26-27-22)16-3-2-12-23-13-16;22-15-3-7-17(8-4-15)29-18-9-5-16(6-10-18)24-19(28)13-30-21-25-20(26-27-21)14-2-1-11-23-12-14/h1-13H,14H2,(H,26,27)(H,28,29,30);2-14H,15H2,1H3,(H,25,27);2-14H,15H2,1H3,(H,26,27);2*2-13H,14H2,1H3,(H,24,28)(H,25,26,27);1-12H,13H2,(H,24,28)(H,25,26,27).

What are the key properties of 3-[3-[[5-[4-(3-fluorophenoxy)phenyl]-1H-imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine;N-[4-(4-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(4-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?

3-[3-[[5-[4-(3-fluorophenoxy)phenyl]-1H-imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine;N-[4-(4-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(4-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 2568.06 g/mol, XLogP of 31.48, 42 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[[5-[4-(3-fluorophenoxy)phenyl]-1H-imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine;N-[4-(4-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]acetamide;N-[4-(3-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide;N-[4-(4-methylphenoxy)phenyl]-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 158083362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158083362 — identifiers, structure, computed properties (public domain)

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