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

C19H16ClNO4S — CID 25017320

IUPAC2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
SMILESCc1cc(OCc2nc(-c3ccccc3Cl)cs2)ccc1OCC(=O)O
InChIInChI=1S/C19H16ClNO4S/c1-12-8-13(6-7-17(12)25-10-19(22)23)24-9-18-21-16(11-26-18)14-4-2-3-5-15(14)20/h2-8,11H,9-10H2,1H3,(H,22,23)
InChIKeyFONSSTYHKIFEBM-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.81
Rot. Bonds7

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

2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid (PubChem CID 25017320) has the molecular formula C19H16ClNO4S and a molecular weight of 389.86 g/mol. Its IUPAC name is 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
PubChem CID25017320
Molecular FormulaC19H16ClNO4S
Molecular Weight389.86 g/mol
Exact Mass389.05
IUPAC Name2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
SMILESCc1cc(OCc2nc(-c3ccccc3Cl)cs2)ccc1OCC(=O)O
InChIInChI=1S/C19H16ClNO4S/c1-12-8-13(6-7-17(12)25-10-19(22)23)24-9-18-21-16(11-26-18)14-4-2-3-5-15(14)20/h2-8,11H,9-10H2,1H3,(H,22,23)
InChIKeyFONSSTYHKIFEBM-UHFFFAOYSA-N
XLogP4.81
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

{4-[4,5-Bis(4-methoxyphenyl)thiazol-2-ylmethoxy]-2-methylphenoxy}acetic Acid
CID 44626689
2-(4-((4-(3-Methoxyphenyl)-5-(4-(trifluoromethoxy)phenyl)-thiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
CID 44626798
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
2-(4-((5-(4-Chlorophenyl)-4-(4-methoxyphenyl)thiazol-2-yl)-methoxy)-2-methylphenoxy)acetic Acid
CID 44627728
2-(4-((5-(6-Chloropyridin-3-yl)-4-(4-methoxyphenyl)thiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
CID 44627841
2-(4-((5-(3-Chloro-4-methoxyphenyl)-4-(4-methoxyphenyl)-thiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
CID 44627842
2-(4-((4-(4-Methoxyphenyl)-5-(4-propylphenyl)thiazol-2-yl)-methoxy)-2-methylphenoxy)acetic Acid
CID 44627941
2-(4-((4-(4-Methoxyphenyl)-5-styrylthiazol-2-yl)methoxy)-2-methylphenoxy)acetic Acid
CID 44628048
2-(4-((5-(4-Chlorophenyl)-4-methylthiazol-2-yl)methoxy)-2-methylphenoxy)acetic acid
CID 44627407

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid (CID 25017320) is 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid is Cc1cc(OCc2nc(-c3ccccc3Cl)cs2)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The InChIKey is FONSSTYHKIFEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S/c1-12-8-13(6-7-17(12)25-10-19(22)23)24-9-18-21-16(11-26-18)14-4-2-3-5-15(14)20/h2-8,11H,9-10H2,1H3,(H,22,23).
What are the key properties of 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid has a molecular weight of 389.86 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid is sourced from PubChem (CID 25017320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).