2-ethoxy-3-[3-fluoro-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]propanoic acid

C22H22FNO4S — CID 22647537

IUPAC2-ethoxy-3-[3-fluoro-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCc2csc(-c3ccc(C)cc3)n2)c(F)c1)C(=O)O
InChIInChI=1S/C22H22FNO4S/c1-3-27-20(22(25)26)11-15-6-9-19(18(23)10-15)28-12-17-13-29-21(24-17)16-7-4-14(2)5-8-16/h4-10,13,20H,3,11-12H2,1-2H3,(H,25,26)
InChIKeyKMCOLHVQDJVSMI-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.87
Rot. Bonds9

About 2-ethoxy-3-[3-fluoro-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]propanoic acid

2-ethoxy-3-[3-fluoro-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]propanoic acid (PubChem CID 22647537) has the molecular formula C22H22FNO4S and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-ethoxy-3-[3-fluoro-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[3-fluoro-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]propanoic acid
PubChem CID22647537
Molecular FormulaC22H22FNO4S
Molecular Weight415.49 g/mol
Exact Mass415.13
IUPAC Name2-ethoxy-3-[3-fluoro-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCc2csc(-c3ccc(C)cc3)n2)c(F)c1)C(=O)O
InChIInChI=1S/C22H22FNO4S/c1-3-27-20(22(25)26)11-15-6-9-19(18(23)10-15)28-12-17-13-29-21(24-17)16-7-4-14(2)5-8-16/h4-10,13,20H,3,11-12H2,1-2H3,(H,25,26)
InChIKeyKMCOLHVQDJVSMI-UHFFFAOYSA-N
XLogP4.87
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-3-[3-fluoro-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]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

2-ethoxy-3-[3-fluoro-4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]propanoic acid
CID 10344597
potassium;ethyl 3-[4-[[2-(3,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-3-fluorophenyl]-2-ethoxypropanoate;iodide
CID 172716536
(2S)-2-ethoxy-3-[2-methyl-4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]propanoic acid
CID 68617862
3-[4-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-thiazol-4-yl]ethoxy]-3-fluorophenyl]-2-ethoxypropanoic acid
CID 22647505
2-[2-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 22682050
[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 107686349
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609834
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20984187
2-ethoxy-3-[4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]ethoxy]-3-methylphenyl]propanoic acid
CID 22647431
2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
CID 7745299
4-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-methyl-1,3-thiazole
CID 107691593
4-[(2-fluorophenoxy)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 141083807

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[3-fluoro-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]propanoic acid?
The IUPAC name of 2-ethoxy-3-[3-fluoro-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]propanoic acid (CID 22647537) is 2-ethoxy-3-[3-fluoro-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[3-fluoro-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[3-fluoro-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]propanoic acid is CCOC(Cc1ccc(OCc2csc(-c3ccc(C)cc3)n2)c(F)c1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[3-fluoro-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]propanoic acid?
The InChIKey is KMCOLHVQDJVSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO4S/c1-3-27-20(22(25)26)11-15-6-9-19(18(23)10-15)28-12-17-13-29-21(24-17)16-7-4-14(2)5-8-16/h4-10,13,20H,3,11-12H2,1-2H3,(H,25,26).
What are the key properties of 2-ethoxy-3-[3-fluoro-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]propanoic acid?
2-ethoxy-3-[3-fluoro-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]propanoic acid has a molecular weight of 415.49 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[3-fluoro-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 22647537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).