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

C12H11NO3S — CID 738083

IUPAC2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCOc1ccc(-c2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C12H11NO3S/c1-16-10-4-2-8(3-5-10)12-13-9(7-17-12)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyHWRQFRXTBPYUEK-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.45
Rot. Bonds4

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

2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 738083) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID738083
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCOc1ccc(-c2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C12H11NO3S/c1-16-10-4-2-8(3-5-10)12-13-9(7-17-12)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyHWRQFRXTBPYUEK-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid (CID 738083) is 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid is COc1ccc(-c2nc(CC(=O)O)cs2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is HWRQFRXTBPYUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-16-10-4-2-8(3-5-10)12-13-9(7-17-12)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]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-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 738083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).