5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;2-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;2-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine

C89H80FN11O4S — CID 165101128

About 5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;2-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;2-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine

5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;2-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;2-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine (PubChem CID 165101128) has the molecular formula C89H80FN11O4S and a molecular weight of 1418.76 g/mol. Its IUPAC name is 5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;2-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;2-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine.

Molecular Properties

• Compound Name: 5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;2-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;2-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine
• PubChem CID: 165101128
• Molecular Formula: C89H80FN11O4S
• Molecular Weight: 1418.76 g/mol
• Exact Mass: 1417.61
• IUPAC Name: 5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;2-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;2-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine
• SMILES: CCc1ccc(Oc2ccc(-c3cncs3)cc2)nc1.Cc1cc(Oc2ccc(-c3ccccc3)nc2)ncc1N.Cc1ccccc1-c1ccc(Oc2ccc(N)c(C)n2)cc1C.Cc1nc(Oc2ccc(-c3ccccc3)nc2)ccc1N.Nc1ccc(Cc2ccc(-c3ccc(F)cc3)cc2)cc1
• InChI: InChI=1S/C20H20N2O.C19H16FN.2C17H15N3O.C16H14N2OS/c1-13-6-4-5-7-17(13)18-9-8-16(12-14(18)2)23-20-11-10-19(21)15(3)22-20;20-18-9-7-17(8-10-18)16-5-1-14(2-6-16)13-15-3-11-19(21)12-4-15;1-12-15(18)8-10-17(20-12)21-14-7-9-16(19-11-14)13-5-3-2-4-6-13;1-12-9-17(20-11-15(12)18)21-14-7-8-16(19-10-14)13-5-3-2-4-6-13;1-2-12-3-8-16(18-9-12)19-14-6-4-13(5-7-14)15-10-17-11-20-15/h4-12H,21H2,1-3H3;1-12H,13,21H2;2*2-11H,18H2,1H3;3-11H,2H2,1H3
• InChIKey: YIKIKTNDNHWJNA-UHFFFAOYSA-N
• XLogP: 21.93
• TPSA: 231.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1418.76
LogP ≤ 5	21.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;2-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;2-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine?

The IUPAC name of 5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;2-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;2-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine (CID 165101128) is 5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;2-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;2-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine.

What is the SMILES notation for 5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;2-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;2-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine?

The canonical SMILES for 5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;2-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;2-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine is CCc1ccc(Oc2ccc(-c3cncs3)cc2)nc1.Cc1cc(Oc2ccc(-c3ccccc3)nc2)ncc1N.Cc1ccccc1-c1ccc(Oc2ccc(N)c(C)n2)cc1C.Cc1nc(Oc2ccc(-c3ccccc3)nc2)ccc1N.Nc1ccc(Cc2ccc(-c3ccc(F)cc3)cc2)cc1.

What is the InChIKey of 5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;2-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;2-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine?

The InChIKey is YIKIKTNDNHWJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O.C19H16FN.2C17H15N3O.C16H14N2OS/c1-13-6-4-5-7-17(13)18-9-8-16(12-14(18)2)23-20-11-10-19(21)15(3)22-20;20-18-9-7-17(8-10-18)16-5-1-14(2-6-16)13-15-3-11-19(21)12-4-15;1-12-15(18)8-10-17(20-12)21-14-7-9-16(19-11-14)13-5-3-2-4-6-13;1-12-9-17(20-11-15(12)18)21-14-7-8-16(19-10-14)13-5-3-2-4-6-13;1-2-12-3-8-16(18-9-12)19-14-6-4-13(5-7-14)15-10-17-11-20-15/h4-12H,21H2,1-3H3;1-12H,13,21H2;2*2-11H,18H2,1H3;3-11H,2H2,1H3.

What are the key properties of 5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;2-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;2-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine?

5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;2-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;2-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine has a molecular weight of 1418.76 g/mol, XLogP of 21.93, 16 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]methyl]aniline;2-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;2-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine is sourced from PubChem (CID 165101128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).