2-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]acetic acid

C12H11NO3S — CID 13320599

IUPAC2-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]acetic acid
SMILESCOc1c(CC(=O)O)cccc1-c1nccs1
InChIInChI=1S/C12H11NO3S/c1-16-11-8(7-10(14)15)3-2-4-9(11)12-13-5-6-17-12/h2-6H,7H2,1H3,(H,14,15)
InChIKeyAHJSQTWDBVSNJE-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.45
Rot. Bonds4

About 2-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]acetic acid

2-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]acetic acid (PubChem CID 13320599) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]acetic acid
PubChem CID13320599
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]acetic acid
SMILESCOc1c(CC(=O)O)cccc1-c1nccs1
InChIInChI=1S/C12H11NO3S/c1-16-11-8(7-10(14)15)3-2-4-9(11)12-13-5-6-17-12/h2-6H,7H2,1H3,(H,14,15)
InChIKeyAHJSQTWDBVSNJE-UHFFFAOYSA-N
XLogP2.45
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]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-methoxy-3-(1,3-thiazol-2-yl)phenyl]acetic acid?
The IUPAC name of 2-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]acetic acid (CID 13320599) is 2-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]acetic acid is COc1c(CC(=O)O)cccc1-c1nccs1.
What is the InChIKey of 2-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]acetic acid?
The InChIKey is AHJSQTWDBVSNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-16-11-8(7-10(14)15)3-2-4-9(11)12-13-5-6-17-12/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 2-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]acetic acid?
2-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]acetic acid has a molecular weight of 249.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-3-(1,3-thiazol-2-yl)phenyl]acetic acid is sourced from PubChem (CID 13320599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).