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

C26H20F3NO4S — CID 10174441

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

2-[2-methyl-4-[[4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenoxy]acetic acid (PubChem CID 10174441) has the molecular formula C26H20F3NO4S and a molecular weight of 499.51 g/mol. Its IUPAC name is 2-[2-methyl-4-[[4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[2-methyl-4-[[4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenoxy]acetic acid
• PubChem CID: 10174441
• Molecular Formula: C26H20F3NO4S
• Molecular Weight: 499.51 g/mol
• Exact Mass: 499.11
• IUPAC Name: 2-[2-methyl-4-[[4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenoxy]acetic acid
• SMILES: Cc1cc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2-c2ccccc2)ccc1OCC(=O)O
• InChI: InChI=1S/C26H20F3NO4S/c1-16-13-20(11-12-21(16)34-15-23(31)32)33-14-22-24(17-5-3-2-4-6-17)30-25(35-22)18-7-9-19(10-8-18)26(27,28)29/h2-13H,14-15H2,1H3,(H,31,32)
• InChIKey: ZRPVRDJPKXMYAN-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 68.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.51
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[2-methyl-4-[[4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenoxy]acetic acid (CID 10174441) is 2-[2-methyl-4-[[4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenoxy]acetic acid.

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

The canonical SMILES for 2-[2-methyl-4-[[4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenoxy]acetic acid is Cc1cc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2-c2ccccc2)ccc1OCC(=O)O.

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

The InChIKey is ZRPVRDJPKXMYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3NO4S/c1-16-13-20(11-12-21(16)34-15-23(31)32)33-14-22-24(17-5-3-2-4-6-17)30-25(35-22)18-7-9-19(10-8-18)26(27,28)29/h2-13H,14-15H2,1H3,(H,31,32).

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

2-[2-methyl-4-[[4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenoxy]acetic acid has a molecular weight of 499.51 g/mol, XLogP of 6.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methyl-4-[[4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenoxy]acetic acid is sourced from PubChem (CID 10174441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).