3-(5-methyl-1,3-thiazol-2-yl)benzoic acid

C11H9NO2S — CID 54594926

IUPAC3-(5-methyl-1,3-thiazol-2-yl)benzoic acid
SMILESCc1cnc(-c2cccc(C(=O)O)c2)s1
InChIInChI=1S/C11H9NO2S/c1-7-6-12-10(15-7)8-3-2-4-9(5-8)11(13)14/h2-6H,1H3,(H,13,14)
InChIKeyZVMVNRWWXZEPMS-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.82
Rot. Bonds2

About 3-(5-methyl-1,3-thiazol-2-yl)benzoic acid

3-(5-methyl-1,3-thiazol-2-yl)benzoic acid (PubChem CID 54594926) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 3-(5-methyl-1,3-thiazol-2-yl)benzoic acid.

Molecular Properties

Compound Name3-(5-methyl-1,3-thiazol-2-yl)benzoic acid
PubChem CID54594926
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name3-(5-methyl-1,3-thiazol-2-yl)benzoic acid
SMILESCc1cnc(-c2cccc(C(=O)O)c2)s1
InChIInChI=1S/C11H9NO2S/c1-7-6-12-10(15-7)8-3-2-4-9(5-8)11(13)14/h2-6H,1H3,(H,13,14)
InChIKeyZVMVNRWWXZEPMS-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-(5-methyl-1,3-thiazol-2-yl)benzoic acid?
The IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)benzoic acid (CID 54594926) is 3-(5-methyl-1,3-thiazol-2-yl)benzoic acid.
What is the SMILES notation for 3-(5-methyl-1,3-thiazol-2-yl)benzoic acid?
The canonical SMILES for 3-(5-methyl-1,3-thiazol-2-yl)benzoic acid is Cc1cnc(-c2cccc(C(=O)O)c2)s1.
What is the InChIKey of 3-(5-methyl-1,3-thiazol-2-yl)benzoic acid?
The InChIKey is ZVMVNRWWXZEPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-7-6-12-10(15-7)8-3-2-4-9(5-8)11(13)14/h2-6H,1H3,(H,13,14).
What are the key properties of 3-(5-methyl-1,3-thiazol-2-yl)benzoic acid?
3-(5-methyl-1,3-thiazol-2-yl)benzoic 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-(5-methyl-1,3-thiazol-2-yl)benzoic acid is sourced from PubChem (CID 54594926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).