5-(4-hydroxyphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid

C11H9NO3S — CID 83293403

IUPAC5-(4-hydroxyphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(-c2ccc(O)cc2)s1
InChIInChI=1S/C11H9NO3S/c1-6-12-9(11(14)15)10(16-6)7-2-4-8(13)5-3-7/h2-5,13H,1H3,(H,14,15)
InChIKeyYUCZXHCAVHWMTL-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.52
Rot. Bonds2

About 5-(4-hydroxyphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid

5-(4-hydroxyphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 83293403) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID83293403
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name5-(4-hydroxyphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1nc(C(=O)O)c(-c2ccc(O)cc2)s1
InChIInChI=1S/C11H9NO3S/c1-6-12-9(11(14)15)10(16-6)7-2-4-8(13)5-3-7/h2-5,13H,1H3,(H,14,15)
InChIKeyYUCZXHCAVHWMTL-UHFFFAOYSA-N
XLogP2.52
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4-hydroxyphenyl)-2-methyl-1,3-thiazole-4-carboxylic 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 5-(4-hydroxyphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(4-hydroxyphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid (CID 83293403) is 5-(4-hydroxyphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-hydroxyphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(4-hydroxyphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid is Cc1nc(C(=O)O)c(-c2ccc(O)cc2)s1.
What is the InChIKey of 5-(4-hydroxyphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is YUCZXHCAVHWMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-6-12-9(11(14)15)10(16-6)7-2-4-8(13)5-3-7/h2-5,13H,1H3,(H,14,15).
What are the key properties of 5-(4-hydroxyphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid?
5-(4-hydroxyphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 235.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 83293403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).