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

C23H22F3NO4S — CID 9825738

IUPAC2-methyl-2-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]methoxy]propanoic acid
SMILESCC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)COC3=CC=CC(=C3)COC(C)(C)C(=O)O
InChIInChI=1S/C23H22F3NO4S/c1-14-19(32-20(27-14)16-7-9-17(10-8-16)23(24,25)26)13-30-18-6-4-5-15(11-18)12-31-22(2,3)21(28)29/h4-11H,12-13H2,1-3H3,(H,28,29)
InChIKeyJIPCIYKZGADPJR-UHFFFAOYSA-N
MW465.50 g/mol
LogP5.20
Rot. Bonds8

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

2-Methyl-2-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]methoxy]propanoic acid (PubChem CID 9825738) has the molecular formula C23H22F3NO4S and a molecular weight of 465.50 g/mol. Its IUPAC name is 2-methyl-2-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]methoxy]propanoic acid.

Molecular Properties

Compound Name2-Methyl-2-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]methoxy]propanoic acid
PubChem CID9825738
Molecular FormulaC23H22F3NO4S
Molecular Weight465.50 g/mol
Exact Mass465.12
IUPAC Name2-methyl-2-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]methoxy]propanoic acid
SMILESCC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)COC3=CC=CC(=C3)COC(C)(C)C(=O)O
InChIInChI=1S/C23H22F3NO4S/c1-14-19(32-20(27-14)16-7-9-17(10-8-16)23(24,25)26)13-30-18-6-4-5-15(11-18)12-31-22(2,3)21(28)29/h4-11H,12-13H2,1-3H3,(H,28,29)
InChIKeyJIPCIYKZGADPJR-UHFFFAOYSA-N
XLogP5.20
TPSA96.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity625

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.50
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-Methyl-2-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]methoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

GW 501516
CID 9803963
GW-0742
CID 9934458
2-Methyl-2-phenoxypropanoic acid, 27
CID 10141305
2-[2-Methyl-4-(2-{4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}ethyl)phenoxy]acetic acid
CID 10274627
2-Methyl-2-(4-{[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)amino]methyl}phenoxy)propanoic acid
CID 16109190
2-(2-Methyl-4-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methylselanyl)phenoxy)acetic acid
CID 11620299
Sodelglitazar
CID 9805950
2-Methyl-2-[4-(2-{4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}ethyl)phenoxy]propanoic acid
CID 16109183
2-(4-((2-(3-Fluoro-4-(trifluoromethyl)phenyl)-4-methylthiazol-5-yl)methylselanyl)-2-methylphenoxy)acetic acid
CID 50925503
2-[2-Methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]butylsulfanyl]phenoxy]acetic acid
CID 60166650
3-{4-[4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-phenyl}-propionic acid
CID 9823501
3-{2-Methyl-4-[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-phenyl}-propionic acid
CID 9845832

Frequently Asked Questions

What is the IUPAC name of 2-Methyl-2-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]methoxy]propanoic acid?
The IUPAC name of 2-Methyl-2-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]methoxy]propanoic acid (CID 9825738) is 2-methyl-2-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]methoxy]propanoic acid.
What is the SMILES notation for 2-Methyl-2-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]methoxy]propanoic acid?
The canonical SMILES for 2-Methyl-2-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]methoxy]propanoic acid is CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)COC3=CC=CC(=C3)COC(C)(C)C(=O)O.
What is the InChIKey of 2-Methyl-2-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]methoxy]propanoic acid?
The InChIKey is JIPCIYKZGADPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3NO4S/c1-14-19(32-20(27-14)16-7-9-17(10-8-16)23(24,25)26)13-30-18-6-4-5-15(11-18)12-31-22(2,3)21(28)29/h4-11H,12-13H2,1-3H3,(H,28,29).
What are the key properties of 2-Methyl-2-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]methoxy]propanoic acid?
2-Methyl-2-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]methoxy]propanoic acid has a molecular weight of 465.50 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methyl-2-[[3-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]methoxy]propanoic acid is sourced from PubChem (CID 9825738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).