2-methyl-2-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenoxy]pentanoic acid

C25H26F3NO4S — CID 157207253

About 2-methyl-2-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenoxy]pentanoic acid

2-methyl-2-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenoxy]pentanoic acid (PubChem CID 157207253) has the molecular formula C25H26F3NO4S and a molecular weight of 493.55 g/mol. Its IUPAC name is 2-methyl-2-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenoxy]pentanoic acid.

Molecular Properties

• Compound Name: 2-methyl-2-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenoxy]pentanoic acid
• PubChem CID: 157207253
• Molecular Formula: C25H26F3NO4S
• Molecular Weight: 493.55 g/mol
• Exact Mass: 493.15
• IUPAC Name: 2-methyl-2-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenoxy]pentanoic acid
• SMILES: CCCC(C)(Oc1ccc(OC(C)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)cc1C)C(=O)O
• InChI: InChI=1S/C25H26F3NO4S/c1-5-12-24(4,23(30)31)33-20-11-10-19(13-15(20)2)32-16(3)21-14-29-22(34-21)17-6-8-18(9-7-17)25(26,27)28/h6-11,13-14,16H,5,12H2,1-4H3,(H,30,31)
• InChIKey: ARMOKUURCVWMTB-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 68.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.55
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenoxy]pentanoic acid?

The IUPAC name of 2-methyl-2-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenoxy]pentanoic acid (CID 157207253) is 2-methyl-2-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenoxy]pentanoic acid.

What is the SMILES notation for 2-methyl-2-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenoxy]pentanoic acid?

The canonical SMILES for 2-methyl-2-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenoxy]pentanoic acid is CCCC(C)(Oc1ccc(OC(C)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)cc1C)C(=O)O.

What is the InChIKey of 2-methyl-2-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenoxy]pentanoic acid?

The InChIKey is ARMOKUURCVWMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3NO4S/c1-5-12-24(4,23(30)31)33-20-11-10-19(13-15(20)2)32-16(3)21-14-29-22(34-21)17-6-8-18(9-7-17)25(26,27)28/h6-11,13-14,16H,5,12H2,1-4H3,(H,30,31).

What are the key properties of 2-methyl-2-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenoxy]pentanoic acid?

2-methyl-2-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenoxy]pentanoic acid has a molecular weight of 493.55 g/mol, XLogP of 7.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenoxy]pentanoic acid is sourced from PubChem (CID 157207253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).