2-benzoyl-1,3-thiazole-4-carboxylic acid

C11H7NO3S — CID 83393019

IUPAC2-benzoyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)c2ccccc2)n1
InChIInChI=1S/C11H7NO3S/c13-9(7-4-2-1-3-5-7)10-12-8(6-16-10)11(14)15/h1-6H,(H,14,15)
InChIKeyVSEMROMIKAJVFV-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.07
Rot. Bonds3

About 2-benzoyl-1,3-thiazole-4-carboxylic acid

2-benzoyl-1,3-thiazole-4-carboxylic acid (PubChem CID 83393019) has the molecular formula C11H7NO3S and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-benzoyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-benzoyl-1,3-thiazole-4-carboxylic acid
PubChem CID83393019
Molecular FormulaC11H7NO3S
Molecular Weight233.25 g/mol
Exact Mass233.01
IUPAC Name2-benzoyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)c2ccccc2)n1
InChIInChI=1S/C11H7NO3S/c13-9(7-4-2-1-3-5-7)10-12-8(6-16-10)11(14)15/h1-6H,(H,14,15)
InChIKeyVSEMROMIKAJVFV-UHFFFAOYSA-N
XLogP2.07
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-Phenyl-4-carboxythiazole
CID 138928
2-Benzyl-1,3-thiazole-4-carboxylic acid
CID 1491570
2-(4-Fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 4962882
2-(2-Phenylethyl)-1,3-thiazole-4-carboxylic acid
CID 50990527
2-(4-(Trifluoromethyl)phenyl)-1,3-thiazole-4-carboxylic acid
CID 2794766
2-((4-Chlorophenyl)methyl)-1,3-thiazole-4-carboxylic acid
CID 1491572
2-(2-Methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 15623074
2-(2,6-Difluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 24278454
2-[4-(3-Oxo-2,3-diphenylpropyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 70689620
2-(4-(1-Methylethyl)phenyl)-4-thiazolecarboxylic acid
CID 15623076
2-(2-Fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-benzoyl-1,3-thiazole-4-carboxylic acid (CID 83393019) is 2-benzoyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-benzoyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-benzoyl-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)c2ccccc2)n1.
What is the InChIKey of 2-benzoyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is VSEMROMIKAJVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3S/c13-9(7-4-2-1-3-5-7)10-12-8(6-16-10)11(14)15/h1-6H,(H,14,15).
What are the key properties of 2-benzoyl-1,3-thiazole-4-carboxylic acid?
2-benzoyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 233.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 83393019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).