2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid

C19H16ClNO4S — CID 25017590

IUPAC2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid
SMILESCC(Oc1ccc(OCc2nc(-c3ccccc3Cl)cs2)cc1)C(=O)O
InChIInChI=1S/C19H16ClNO4S/c1-12(19(22)23)25-14-8-6-13(7-9-14)24-10-18-21-17(11-26-18)15-4-2-3-5-16(15)20/h2-9,11-12H,10H2,1H3,(H,22,23)
InChIKeyPYUUTTMSGOAZOQ-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.89
Rot. Bonds7

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

2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid (PubChem CID 25017590) 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]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid
PubChem CID25017590
Molecular FormulaC19H16ClNO4S
Molecular Weight389.86 g/mol
Exact Mass389.05
IUPAC Name2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid
SMILESCC(Oc1ccc(OCc2nc(-c3ccccc3Cl)cs2)cc1)C(=O)O
InChIInChI=1S/C19H16ClNO4S/c1-12(19(22)23)25-14-8-6-13(7-9-14)24-10-18-21-17(11-26-18)15-4-2-3-5-16(15)20/h2-9,11-12H,10H2,1H3,(H,22,23)
InChIKeyPYUUTTMSGOAZOQ-UHFFFAOYSA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic 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-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid?
The IUPAC name of 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid (CID 25017590) is 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid?
The canonical SMILES for 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid is CC(Oc1ccc(OCc2nc(-c3ccccc3Cl)cs2)cc1)C(=O)O.
What is the InChIKey of 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid?
The InChIKey is PYUUTTMSGOAZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S/c1-12(19(22)23)25-14-8-6-13(7-9-14)24-10-18-21-17(11-26-18)15-4-2-3-5-16(15)20/h2-9,11-12H,10H2,1H3,(H,22,23).
What are the key properties of 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid?
2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid has a molecular weight of 389.86 g/mol, XLogP of 4.89, 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]phenoxy]propanoic acid is sourced from PubChem (CID 25017590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).