2-(1,3-thiazole-2-carbonyl)benzoic acid

C11H7NO3S — CID 10331543

IUPAC2-(1,3-thiazole-2-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1nccs1
InChIInChI=1S/C11H7NO3S/c13-9(10-12-5-6-16-10)7-3-1-2-4-8(7)11(14)15/h1-6H,(H,14,15)
InChIKeyXPUKCSUVCFDNRU-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.07
Rot. Bonds3

About 2-(1,3-thiazole-2-carbonyl)benzoic acid

2-(1,3-thiazole-2-carbonyl)benzoic acid (PubChem CID 10331543) has the molecular formula C11H7NO3S and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-(1,3-thiazole-2-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(1,3-thiazole-2-carbonyl)benzoic acid
PubChem CID10331543
Molecular FormulaC11H7NO3S
Molecular Weight233.25 g/mol
Exact Mass233.01
IUPAC Name2-(1,3-thiazole-2-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1nccs1
InChIInChI=1S/C11H7NO3S/c13-9(10-12-5-6-16-10)7-3-1-2-4-8(7)11(14)15/h1-6H,(H,14,15)
InChIKeyXPUKCSUVCFDNRU-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

3-(1,3-Thiazol-2-yl)benzoic acid
CID 21075087
2-[3-(1,3-Thiazole-2-carbonyl)phenyl]propanoic acid
CID 44427689
4-(1,3-Thiazol-2-yl)benzoic acid
CID 23510471
4-[(1,3-Thiazol-2-yl)methyl]benzoic acid
CID 79015754
2,4-Difluoro-3-methyl-5-(1,3-thiazole-2-carbonyl)benzoic acid
CID 87368597
5-Fluoro-2-(2-thiazolyl)benzoic acid
CID 134279354
2-Fluoro-3-(1,3-thiazol-2-yl)benzoic acid
CID 148612058
2-Fluoro-6-(1,3-thiazol-2-yl)benzoic acid
CID 168869605
4-Fluoro-2-(2-thiazolyl)benzoic acid
CID 170984814
3-Fluoro-2-(1,3-thiazol-2-yl)benzoic acid
CID 171617952
2-Fluoro-6-(1,3-thiazol-5-yl)benzoic acid
CID 171617966
Fluoro 3-methyl-5-(1,3-thiazole-2-carbonyl)benzoate
CID 174649029

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazole-2-carbonyl)benzoic acid?
The IUPAC name of 2-(1,3-thiazole-2-carbonyl)benzoic acid (CID 10331543) is 2-(1,3-thiazole-2-carbonyl)benzoic acid.
What is the SMILES notation for 2-(1,3-thiazole-2-carbonyl)benzoic acid?
The canonical SMILES for 2-(1,3-thiazole-2-carbonyl)benzoic acid is O=C(O)c1ccccc1C(=O)c1nccs1.
What is the InChIKey of 2-(1,3-thiazole-2-carbonyl)benzoic acid?
The InChIKey is XPUKCSUVCFDNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO3S/c13-9(10-12-5-6-16-10)7-3-1-2-4-8(7)11(14)15/h1-6H,(H,14,15).
What are the key properties of 2-(1,3-thiazole-2-carbonyl)benzoic acid?
2-(1,3-thiazole-2-carbonyl)benzoic 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-(1,3-thiazole-2-carbonyl)benzoic acid is sourced from PubChem (CID 10331543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).