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

C17H11NO3S — CID 54275593

IUPAC2-(4-benzoylphenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(c1ccccc1)c1ccc(-c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C17H11NO3S/c19-15(11-4-2-1-3-5-11)12-6-8-13(9-7-12)16-18-14(10-22-16)17(20)21/h1-10H,(H,20,21)
InChIKeyRNEUYNBZFDOKMN-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.74
Rot. Bonds4

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

2-(4-benzoylphenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 54275593) has the molecular formula C17H11NO3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-(4-benzoylphenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-benzoylphenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID54275593
Molecular FormulaC17H11NO3S
Molecular Weight309.35 g/mol
Exact Mass309.05
IUPAC Name2-(4-benzoylphenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(c1ccccc1)c1ccc(-c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C17H11NO3S/c19-15(11-4-2-1-3-5-11)12-6-8-13(9-7-12)16-18-14(10-22-16)17(20)21/h1-10H,(H,20,21)
InChIKeyRNEUYNBZFDOKMN-UHFFFAOYSA-N
XLogP3.74
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-benzoylphenyl)-1,3-thiazole-4-carboxylic acid (CID 54275593) is 2-(4-benzoylphenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-benzoylphenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-benzoylphenyl)-1,3-thiazole-4-carboxylic acid is O=C(c1ccccc1)c1ccc(-c2nc(C(=O)O)cs2)cc1.
What is the InChIKey of 2-(4-benzoylphenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is RNEUYNBZFDOKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3S/c19-15(11-4-2-1-3-5-11)12-6-8-13(9-7-12)16-18-14(10-22-16)17(20)21/h1-10H,(H,20,21).
What are the key properties of 2-(4-benzoylphenyl)-1,3-thiazole-4-carboxylic acid?
2-(4-benzoylphenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 309.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 54275593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).