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

C20H18ClNO4S — CID 44627407

IUPAC2-[4-[[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
SMILESCc1cc(OCc2nc(C)c(-c3ccc(Cl)cc3)s2)ccc1OCC(=O)O
InChIInChI=1S/C20H18ClNO4S/c1-12-9-16(7-8-17(12)26-11-19(23)24)25-10-18-22-13(2)20(27-18)14-3-5-15(21)6-4-14/h3-9H,10-11H2,1-2H3,(H,23,24)
InChIKeyHUVSXNPATVUAJN-UHFFFAOYSA-N
MW403.89 g/mol
LogP5.12
Rot. Bonds7

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

2-[4-[[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid (PubChem CID 44627407) has the molecular formula C20H18ClNO4S and a molecular weight of 403.89 g/mol. Its IUPAC name is 2-[4-[[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
PubChem CID44627407
Molecular FormulaC20H18ClNO4S
Molecular Weight403.89 g/mol
Exact Mass403.06
IUPAC Name2-[4-[[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
SMILESCc1cc(OCc2nc(C)c(-c3ccc(Cl)cc3)s2)ccc1OCC(=O)O
InChIInChI=1S/C20H18ClNO4S/c1-12-9-16(7-8-17(12)26-11-19(23)24)25-10-18-22-13(2)20(27-18)14-3-5-15(21)6-4-14/h3-9H,10-11H2,1-2H3,(H,23,24)
InChIKeyHUVSXNPATVUAJN-UHFFFAOYSA-N
XLogP5.12
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.89
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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-(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
2-(4-((4-(4-Butoxyphenyl)-5-(4-(trifluoromethoxy)phenyl)-thiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
CID 44626801
2-(4-((4-(4-Isopropoxyphenyl)-5-(4-propylphenyl)thiazol-2-yl)-methoxy)-2-methylphenoxy)acetic Acid
CID 44626885
2-(4-((4,5-Bis(4-(trifluoromethyl)phenyl)thiazol-2-yl)methoxy)-2-methylphenoxy)acetic acid
CID 44627525
2-(4-((4,5-Bis(4-chlorophenyl)thiazol-2-yl)methoxy)-2-methylphenoxy)acetic acid
CID 44627526
2-(4-((4-(4-Methoxyphenyl)-5-phenylthiazol-2-yl)methoxy)-2-methylphenoxy)acetic acid
CID 44627527
2-(4-((5-(4-Chlorophenyl)-4-phenylthiazol-2-yl)methoxy)-2-methylphenoxy)acetic acid
CID 44627628

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid (CID 44627407) is 2-[4-[[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid is Cc1cc(OCc2nc(C)c(-c3ccc(Cl)cc3)s2)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-[[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The InChIKey is HUVSXNPATVUAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4S/c1-12-9-16(7-8-17(12)26-11-19(23)24)25-10-18-22-13(2)20(27-18)14-3-5-15(21)6-4-14/h3-9H,10-11H2,1-2H3,(H,23,24).
What are the key properties of 2-[4-[[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
2-[4-[[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid has a molecular weight of 403.89 g/mol, XLogP of 5.12, 7 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-methyl-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid is sourced from PubChem (CID 44627407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).