2-[4-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid

C26H22ClNO5S — CID 44627728

IUPAC2-[4-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
SMILESCOc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H22ClNO5S/c1-16-13-21(11-12-22(16)33-15-24(29)30)32-14-23-28-25(17-5-9-20(31-2)10-6-17)26(34-23)18-3-7-19(27)8-4-18/h3-13H,14-15H2,1-2H3,(H,29,30)
InChIKeyQZSGKXCNSCIVBM-UHFFFAOYSA-N
MW495.98 g/mol
LogP6.49
Rot. Bonds9

About 2-[4-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid

2-[4-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid (PubChem CID 44627728) has the molecular formula C26H22ClNO5S and a molecular weight of 495.98 g/mol. Its IUPAC name is 2-[4-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
PubChem CID44627728
Molecular FormulaC26H22ClNO5S
Molecular Weight495.98 g/mol
Exact Mass495.09
IUPAC Name2-[4-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
SMILESCOc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H22ClNO5S/c1-16-13-21(11-12-22(16)33-15-24(29)30)32-14-23-28-25(17-5-9-20(31-2)10-6-17)26(34-23)18-3-7-19(27)8-4-18/h3-13H,14-15H2,1-2H3,(H,29,30)
InChIKeyQZSGKXCNSCIVBM-UHFFFAOYSA-N
XLogP6.49
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.98
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid with MolForge

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Related Compounds

{4-[4-(4-Isopropoxyphenyl)-5-(4-trifluoromethoxyphenyl)thiazol-2-ylmethoxy]-2-methylphenoxy}acetic Acid
CID 11585006
{4-[4-(4-Isopropoxy-phenyl)-5-(4-trifluoromethyl-phenyl)-thiazol-2-ylmethoxy]-2-methyl-phenoxy}-acetic acid
CID 11649750
[3-[2-(4,5-Diphenyl-2-thiazolyl)ethyl)phenoxy]acetic acid
CID 15006905
GPR120 modulator 1
CID 25017320
{4-[4,5-Bis(4-methoxyphenyl)thiazol-2-ylmethoxy]-2-methylphenoxy}acetic Acid
CID 44626689
2-(4-((4,5-Bis(4-methoxyphenyl)thiazol-2-yl)methylthio)-2-methylphenoxy)acetic Acid
CID 44626691
2-(4-((4-(4-(Trifluoromethyl)phenyl)-5-(4-(trifluoromethoxy)-phenyl)thiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
CID 44626696
2-(4-((4-(4-Biphenyl)-5-(4-(trifluoromethoxy)phenyl)thiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
CID 44626697
2-(4-((4-(3-Fluoro-4-methoxyphenyl)-5-(4-(trifluoromethoxy)-phenyl)thiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
CID 44626797
2-(4-((4-(3-Methoxyphenyl)-5-(4-(trifluoromethoxy)phenyl)-thiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
CID 44626798
2-(4-((4-(4-Ethoxyphenyl)-5-(4-(trifluoromethoxy)phenyl)thiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
CID 44626799
2-(4-((4-(4-Propoxyphenyl)-5-(4-(trifluoromethoxy)phenyl)-thiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
CID 44626800

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid (CID 44627728) is 2-[4-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid is COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The InChIKey is QZSGKXCNSCIVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO5S/c1-16-13-21(11-12-22(16)33-15-24(29)30)32-14-23-28-25(17-5-9-20(31-2)10-6-17)26(34-23)18-3-7-19(27)8-4-18/h3-13H,14-15H2,1-2H3,(H,29,30).
What are the key properties of 2-[4-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
2-[4-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid has a molecular weight of 495.98 g/mol, XLogP of 6.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid is sourced from PubChem (CID 44627728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).