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

C28H25NO5S — CID 44628048

IUPAC2-[4-[[4-(4-methoxyphenyl)-5-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
SMILESCOc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2/C=C/c2ccccc2)cc1
InChIInChI=1S/C28H25NO5S/c1-19-16-23(13-14-24(19)34-18-27(30)31)33-17-26-29-28(21-9-11-22(32-2)12-10-21)25(35-26)15-8-20-6-4-3-5-7-20/h3-16H,17-18H2,1-2H3,(H,30,31)/b15-8+
InChIKeyAABWNUVUEHGWFW-OVCLIPMQSA-N
MW487.58 g/mol
LogP6.34
Rot. Bonds10

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

2-[4-[[4-(4-methoxyphenyl)-5-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid (PubChem CID 44628048) has the molecular formula C28H25NO5S and a molecular weight of 487.58 g/mol. Its IUPAC name is 2-[4-[[4-(4-methoxyphenyl)-5-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-(4-methoxyphenyl)-5-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
PubChem CID44628048
Molecular FormulaC28H25NO5S
Molecular Weight487.58 g/mol
Exact Mass487.15
IUPAC Name2-[4-[[4-(4-methoxyphenyl)-5-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
SMILESCOc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2/C=C/c2ccccc2)cc1
InChIInChI=1S/C28H25NO5S/c1-19-16-23(13-14-24(19)34-18-27(30)31)33-17-26-29-28(21-9-11-22(32-2)12-10-21)25(35-26)15-8-20-6-4-3-5-7-20/h3-16H,17-18H2,1-2H3,(H,30,31)/b15-8+
InChIKeyAABWNUVUEHGWFW-OVCLIPMQSA-N
XLogP6.34
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(4-((4-(6-Methoxy-3-pyridinyl)-5-(4-(trifluoromethoxy)phenyl)-2-thiazolyl)methoxy)-2-methylphenoxy)acetic acid
CID 11663931
2-[2-Methyl-4-(2-{4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}ethyl)phenoxy]acetic acid
CID 10274627
2-(2-Methyl-4-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methylselanyl)phenoxy)acetic acid
CID 11620299
2-(4-((2-(3-Fluoro-4-(trifluoromethyl)phenyl)-4-methylthiazol-5-yl)methylselanyl)-2-methylphenoxy)acetic acid
CID 50925503
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
(E)-(2-Methyl-4-{1-[4-methyl-2-(4-trifluoromethylphenyl)-thiazol-5-ylmethoxyimino]-ethyl}-phenoxy)-acetic acid
CID 24759099
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(4-methoxyphenyl)-5-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[4-(4-methoxyphenyl)-5-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid (CID 44628048) is 2-[4-[[4-(4-methoxyphenyl)-5-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[4-(4-methoxyphenyl)-5-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[4-(4-methoxyphenyl)-5-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid is COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2/C=C/c2ccccc2)cc1.
What is the InChIKey of 2-[4-[[4-(4-methoxyphenyl)-5-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The InChIKey is AABWNUVUEHGWFW-OVCLIPMQSA-N. The full InChI is InChI=1S/C28H25NO5S/c1-19-16-23(13-14-24(19)34-18-27(30)31)33-17-26-29-28(21-9-11-22(32-2)12-10-21)25(35-26)15-8-20-6-4-3-5-7-20/h3-16H,17-18H2,1-2H3,(H,30,31)/b15-8+.
What are the key properties of 2-[4-[[4-(4-methoxyphenyl)-5-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
2-[4-[[4-(4-methoxyphenyl)-5-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid has a molecular weight of 487.58 g/mol, XLogP of 6.34, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(4-methoxyphenyl)-5-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid is sourced from PubChem (CID 44628048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).