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

C25H20ClNO4S — CID 44627628

IUPAC2-[4-[[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
SMILESCc1cc(OCc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)ccc1OCC(=O)O
InChIInChI=1S/C25H20ClNO4S/c1-16-13-20(11-12-21(16)31-15-23(28)29)30-14-22-27-24(17-5-3-2-4-6-17)25(32-22)18-7-9-19(26)10-8-18/h2-13H,14-15H2,1H3,(H,28,29)
InChIKeyVFGQSLLSHJIIRS-UHFFFAOYSA-N
MW465.96 g/mol
LogP6.48
Rot. Bonds8

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

2-[4-[[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid (PubChem CID 44627628) has the molecular formula C25H20ClNO4S and a molecular weight of 465.96 g/mol. Its IUPAC name is 2-[4-[[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
PubChem CID44627628
Molecular FormulaC25H20ClNO4S
Molecular Weight465.96 g/mol
Exact Mass465.08
IUPAC Name2-[4-[[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
SMILESCc1cc(OCc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)ccc1OCC(=O)O
InChIInChI=1S/C25H20ClNO4S/c1-16-13-20(11-12-21(16)31-15-23(28)29)30-14-22-27-24(17-5-3-2-4-6-17)25(32-22)18-7-9-19(26)10-8-18/h2-13H,14-15H2,1H3,(H,28,29)
InChIKeyVFGQSLLSHJIIRS-UHFFFAOYSA-N
XLogP6.48
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.96
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[2-Methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenoxy]acetic acid
CID 9889284
{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-(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-phenyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid (CID 44627628) is 2-[4-[[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid is Cc1cc(OCc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-[[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The InChIKey is VFGQSLLSHJIIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO4S/c1-16-13-20(11-12-21(16)31-15-23(28)29)30-14-22-27-24(17-5-3-2-4-6-17)25(32-22)18-7-9-19(26)10-8-18/h2-13H,14-15H2,1H3,(H,28,29).
What are the key properties of 2-[4-[[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
2-[4-[[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid has a molecular weight of 465.96 g/mol, XLogP of 6.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid is sourced from PubChem (CID 44627628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).