2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetic acid

C17H13NO3S — CID 2079389

IUPAC2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(-c2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C17H13NO3S/c19-16(20)10-13-11-22-17(18-13)12-5-4-8-15(9-12)21-14-6-2-1-3-7-14/h1-9,11H,10H2,(H,19,20)
InChIKeyMOWUHSQDLIPEDF-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.23
Rot. Bonds5

About 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetic acid

2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 2079389) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID2079389
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(-c2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C17H13NO3S/c19-16(20)10-13-11-22-17(18-13)12-5-4-8-15(9-12)21-14-6-2-1-3-7-14/h1-9,11H,10H2,(H,19,20)
InChIKeyMOWUHSQDLIPEDF-UHFFFAOYSA-N
XLogP4.23
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]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-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetic acid (CID 2079389) is 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(-c2cccc(Oc3ccccc3)c2)n1.
What is the InChIKey of 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is MOWUHSQDLIPEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c19-16(20)10-13-11-22-17(18-13)12-5-4-8-15(9-12)21-14-6-2-1-3-7-14/h1-9,11H,10H2,(H,19,20).
What are the key properties of 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 311.36 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 2079389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).