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

C11H9NO2S — CID 56766699

IUPAC3-(4-methylphenyl)-1,2-thiazole-5-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)sn2)cc1
InChIInChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)9-6-10(11(13)14)15-12-9/h2-6H,1H3,(H,13,14)
InChIKeyQSLBTRHQNYHZKB-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.82
Rot. Bonds2

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

3-(4-methylphenyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 56766699) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylphenyl)-1,2-thiazole-5-carboxylic acid
PubChem CID56766699
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name3-(4-methylphenyl)-1,2-thiazole-5-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)sn2)cc1
InChIInChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)9-6-10(11(13)14)15-12-9/h2-6H,1H3,(H,13,14)
InChIKeyQSLBTRHQNYHZKB-UHFFFAOYSA-N
XLogP2.82
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-(4-methylphenyl)-1,2-thiazole-5-carboxylic acid (CID 56766699) is 3-(4-methylphenyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-methylphenyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-(4-methylphenyl)-1,2-thiazole-5-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)sn2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is QSLBTRHQNYHZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)9-6-10(11(13)14)15-12-9/h2-6H,1H3,(H,13,14).
What are the key properties of 3-(4-methylphenyl)-1,2-thiazole-5-carboxylic acid?
3-(4-methylphenyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 219.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 56766699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).