2-[4-[2-[4-(4-fluorophenyl)phenyl]-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]selanyl-2-methylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-(4-phenylphenyl)ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]selanylphenoxy]acetic acid

C137H119F7N4O12S4Se4 — CID 158113305

About 2-[4-[2-[4-(4-fluorophenyl)phenyl]-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]selanyl-2-methylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-(4-phenylphenyl)ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]selanylphenoxy]acetic acid

2-[4-[2-[4-(4-fluorophenyl)phenyl]-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]selanyl-2-methylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-(4-phenylphenyl)ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]selanylphenoxy]acetic acid (PubChem CID 158113305) has the molecular formula C137H119F7N4O12S4Se4 and a molecular weight of 2590.57 g/mol. Its IUPAC name is 2-[4-[2-[4-(4-fluorophenyl)phenyl]-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]selanyl-2-methylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-(4-phenylphenyl)ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]selanylphenoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[4-[2-[4-(4-fluorophenyl)phenyl]-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]selanyl-2-methylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-(4-phenylphenyl)ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]selanylphenoxy]acetic acid
• PubChem CID: 158113305
• Molecular Formula: C137H119F7N4O12S4Se4
• Molecular Weight: 2590.57 g/mol
• Exact Mass: 2592.43
• IUPAC Name: 2-[4-[2-[4-(4-fluorophenyl)phenyl]-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]selanyl-2-methylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-(4-phenylphenyl)ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]selanylphenoxy]acetic acid
• SMILES: Cc1ccc(-c2nc(C)c(C(Cc3ccc(-c4cc(F)c(F)c(F)c4)cc3)[Se]c3ccc(OCC(=O)O)c(C)c3)s2)cc1.Cc1ccc(-c2nc(C)c(C(Cc3ccc(-c4ccc(F)cc4)cc3)[Se]c3ccc(OCC(=O)O)c(C)c3)s2)cc1.Cc1ccc(-c2nc(C)c(C(Cc3ccc(-c4cccc(C(F)(F)F)c4)cc3)[Se]c3ccc(OCC(=O)O)c(C)c3)s2)cc1.Cc1ccc(-c2nc(C)c(C(Cc3ccc(-c4ccccc4)cc3)[Se]c3ccc(OCC(=O)O)c(C)c3)s2)cc1
• InChI: InChI=1S/C35H30F3NO3SSe.C34H28F3NO3SSe.C34H30FNO3SSe.C34H31NO3SSe/c1-21-7-11-26(12-8-21)34-39-23(3)33(43-34)31(44-29-15-16-30(22(2)17-29)42-20-32(40)41)18-24-9-13-25(14-10-24)27-5-4-6-28(19-27)35(36,37)38;1-19-4-8-24(9-5-19)34-38-21(3)33(42-34)30(43-26-12-13-29(20(2)14-26)41-18-31(39)40)15-22-6-10-23(11-7-22)25-16-27(35)32(37)28(36)17-25;1-21-4-8-27(9-5-21)34-36-23(3)33(40-34)31(41-29-16-17-30(22(2)18-29)39-20-32(37)38)19-24-6-10-25(11-7-24)26-12-14-28(35)15-13-26;1-22-9-13-28(14-10-22)34-35-24(3)33(39-34)31(40-29-17-18-30(23(2)19-29)38-21-32(36)37)20-25-11-15-27(16-12-25)26-7-5-4-6-8-26/h4-17,19,31H,18,20H2,1-3H3,(H,40,41);4-14,16-17,30H,15,18H2,1-3H3,(H,39,40);4-18,31H,19-20H2,1-3H3,(H,37,38);4-19,31H,20-21H2,1-3H3,(H,36,37)
• InChIKey: FQRUKFMIYVQTHR-UHFFFAOYSA-N
• XLogP: 30.29
• TPSA: 237.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 40
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2590.57
LogP ≤ 5	30.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(4-fluorophenyl)phenyl]-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]selanyl-2-methylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-(4-phenylphenyl)ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]selanylphenoxy]acetic acid?

The IUPAC name of 2-[4-[2-[4-(4-fluorophenyl)phenyl]-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]selanyl-2-methylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-(4-phenylphenyl)ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]selanylphenoxy]acetic acid (CID 158113305) is 2-[4-[2-[4-(4-fluorophenyl)phenyl]-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]selanyl-2-methylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-(4-phenylphenyl)ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]selanylphenoxy]acetic acid.

What is the SMILES notation for 2-[4-[2-[4-(4-fluorophenyl)phenyl]-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]selanyl-2-methylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-(4-phenylphenyl)ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]selanylphenoxy]acetic acid?

The canonical SMILES for 2-[4-[2-[4-(4-fluorophenyl)phenyl]-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]selanyl-2-methylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-(4-phenylphenyl)ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]selanylphenoxy]acetic acid is Cc1ccc(-c2nc(C)c(C(Cc3ccc(-c4cc(F)c(F)c(F)c4)cc3)[Se]c3ccc(OCC(=O)O)c(C)c3)s2)cc1.Cc1ccc(-c2nc(C)c(C(Cc3ccc(-c4ccc(F)cc4)cc3)[Se]c3ccc(OCC(=O)O)c(C)c3)s2)cc1.Cc1ccc(-c2nc(C)c(C(Cc3ccc(-c4cccc(C(F)(F)F)c4)cc3)[Se]c3ccc(OCC(=O)O)c(C)c3)s2)cc1.Cc1ccc(-c2nc(C)c(C(Cc3ccc(-c4ccccc4)cc3)[Se]c3ccc(OCC(=O)O)c(C)c3)s2)cc1.

What is the InChIKey of 2-[4-[2-[4-(4-fluorophenyl)phenyl]-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]selanyl-2-methylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-(4-phenylphenyl)ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]selanylphenoxy]acetic acid?

The InChIKey is FQRUKFMIYVQTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30F3NO3SSe.C34H28F3NO3SSe.C34H30FNO3SSe.C34H31NO3SSe/c1-21-7-11-26(12-8-21)34-39-23(3)33(43-34)31(44-29-15-16-30(22(2)17-29)42-20-32(40)41)18-24-9-13-25(14-10-24)27-5-4-6-28(19-27)35(36,37)38;1-19-4-8-24(9-5-19)34-38-21(3)33(42-34)30(43-26-12-13-29(20(2)14-26)41-18-31(39)40)15-22-6-10-23(11-7-22)25-16-27(35)32(37)28(36)17-25;1-21-4-8-27(9-5-21)34-36-23(3)33(40-34)31(41-29-16-17-30(22(2)18-29)39-20-32(37)38)19-24-6-10-25(11-7-24)26-12-14-28(35)15-13-26;1-22-9-13-28(14-10-22)34-35-24(3)33(39-34)31(40-29-17-18-30(23(2)19-29)38-21-32(36)37)20-25-11-15-27(16-12-25)26-7-5-4-6-8-26/h4-17,19,31H,18,20H2,1-3H3,(H,40,41);4-14,16-17,30H,15,18H2,1-3H3,(H,39,40);4-18,31H,19-20H2,1-3H3,(H,37,38);4-19,31H,20-21H2,1-3H3,(H,36,37).

What are the key properties of 2-[4-[2-[4-(4-fluorophenyl)phenyl]-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]selanyl-2-methylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-(4-phenylphenyl)ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]selanylphenoxy]acetic acid?

2-[4-[2-[4-(4-fluorophenyl)phenyl]-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]selanyl-2-methylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-(4-phenylphenyl)ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]selanylphenoxy]acetic acid has a molecular weight of 2590.57 g/mol, XLogP of 30.29, 40 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[4-(4-fluorophenyl)phenyl]-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]selanyl-2-methylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-(4-phenylphenyl)ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]selanylphenoxy]acetic acid;2-[2-methyl-4-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-2-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]selanylphenoxy]acetic acid is sourced from PubChem (CID 158113305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).