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

C26H20F3NO4S — CID 10174441

IUPAC2-[2-methyl-4-[[4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenoxy]acetic acid
SMILESCc1cc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2-c2ccccc2)ccc1OCC(=O)O
InChIInChI=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)
InChIKeyZRPVRDJPKXMYAN-UHFFFAOYSA-N
MW499.51 g/mol
LogP6.85
Rot. Bonds8

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 Name2-[2-methyl-4-[[4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenoxy]acetic acid
PubChem CID10174441
Molecular FormulaC26H20F3NO4S
Molecular Weight499.51 g/mol
Exact Mass499.11
IUPAC Name2-[2-methyl-4-[[4-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenoxy]acetic acid
SMILESCc1cc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2-c2ccccc2)ccc1OCC(=O)O
InChIInChI=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)
InChIKeyZRPVRDJPKXMYAN-UHFFFAOYSA-N
XLogP6.85
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.51
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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).