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

C25H19Cl2NO4S — CID 44627526

IUPAC2-[4-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
SMILESCc1cc(OCc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)s2)ccc1OCC(=O)O
InChIInChI=1S/C25H19Cl2NO4S/c1-15-12-20(10-11-21(15)32-14-23(29)30)31-13-22-28-24(16-2-6-18(26)7-3-16)25(33-22)17-4-8-19(27)9-5-17/h2-12H,13-14H2,1H3,(H,29,30)
InChIKeyJSYOXBHBSASSPV-UHFFFAOYSA-N
MW500.40 g/mol
LogP7.13
Rot. Bonds8

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

2-[4-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid (PubChem CID 44627526) has the molecular formula C25H19Cl2NO4S and a molecular weight of 500.40 g/mol. Its IUPAC name is 2-[4-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
PubChem CID44627526
Molecular FormulaC25H19Cl2NO4S
Molecular Weight500.40 g/mol
Exact Mass499.04
IUPAC Name2-[4-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
SMILESCc1cc(OCc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)s2)ccc1OCC(=O)O
InChIInChI=1S/C25H19Cl2NO4S/c1-15-12-20(10-11-21(15)32-14-23(29)30)31-13-22-28-24(16-2-6-18(26)7-3-16)25(33-22)17-4-8-19(27)9-5-17/h2-12H,13-14H2,1H3,(H,29,30)
InChIKeyJSYOXBHBSASSPV-UHFFFAOYSA-N
XLogP7.13
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.40
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid (CID 44627526) is 2-[4-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid is Cc1cc(OCc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)s2)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
The InChIKey is JSYOXBHBSASSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2NO4S/c1-15-12-20(10-11-21(15)32-14-23(29)30)31-13-22-28-24(16-2-6-18(26)7-3-16)25(33-22)17-4-8-19(27)9-5-17/h2-12H,13-14H2,1H3,(H,29,30).
What are the key properties of 2-[4-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid?
2-[4-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid has a molecular weight of 500.40 g/mol, XLogP of 7.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4,5-bis(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid is sourced from PubChem (CID 44627526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).