2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid

C11H9NO3S — CID 2763565

IUPAC2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C11H9NO3S/c1-15-8-4-2-7(3-5-8)10-12-9(6-16-10)11(13)14/h2-6H,1H3,(H,13,14)
InChIKeyOIBLFOXWCGIRIQ-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.52
Rot. Bonds3

About 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid

2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 2763565) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID2763565
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C11H9NO3S/c1-15-8-4-2-7(3-5-8)10-12-9(6-16-10)11(13)14/h2-6H,1H3,(H,13,14)
InChIKeyOIBLFOXWCGIRIQ-UHFFFAOYSA-N
XLogP2.52
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid (CID 2763565) is 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid is COc1ccc(-c2nc(C(=O)O)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is OIBLFOXWCGIRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-15-8-4-2-7(3-5-8)10-12-9(6-16-10)11(13)14/h2-6H,1H3,(H,13,14).
What are the key properties of 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 235.26 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 2763565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).