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

C10H7NO2S — CID 21075087

IUPAC3-(1,3-thiazol-2-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2nccs2)c1
InChIInChI=1S/C10H7NO2S/c12-10(13)8-3-1-2-7(6-8)9-11-4-5-14-9/h1-6H,(H,12,13)
InChIKeyBLFSSABBFANDKK-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.51
Rot. Bonds2

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

3-(1,3-thiazol-2-yl)benzoic acid (PubChem CID 21075087) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)benzoic acid.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)benzoic acid
PubChem CID21075087
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name3-(1,3-thiazol-2-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2nccs2)c1
InChIInChI=1S/C10H7NO2S/c12-10(13)8-3-1-2-7(6-8)9-11-4-5-14-9/h1-6H,(H,12,13)
InChIKeyBLFSSABBFANDKK-UHFFFAOYSA-N
XLogP2.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,3-thiazol-2-yl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzoic acid, 3-(4-methyl-2-thiazolyl)-
CID 215202
4-(1,3-Thiazol-4-yl)benzoic acid
CID 43314757
Benzoic acid, 4-methyl-3-(4-methyl-2-thiazolyl)-
CID 215198
Benzoic acid, 2-methoxy-5-(2-thiazolyl)-
CID 215200
3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid
CID 2776495
3-(2-Phenyl-1,3-thiazol-4-yl)benzoic acid
CID 63152025
3-(4-p-Tolylthiazol-2-yl)benzoic acid
CID 40165873
3-(Thiazol-5-yl)benzoic acid
CID 66851047
2-Hydroxy-5-(1,3-thiazol-2-yl)benzoic acid
CID 136502408
3-(1,3-Thiazol-2-yl)benzaldehyde
CID 18525725
3-(1,3-Thiazol-4-yl)benzoic acid
CID 18613338
4-(1,3-Thiazol-2-yl)benzoic acid
CID 23510471

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)benzoic acid?
The IUPAC name of 3-(1,3-thiazol-2-yl)benzoic acid (CID 21075087) is 3-(1,3-thiazol-2-yl)benzoic acid.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)benzoic acid?
The canonical SMILES for 3-(1,3-thiazol-2-yl)benzoic acid is O=C(O)c1cccc(-c2nccs2)c1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)benzoic acid?
The InChIKey is BLFSSABBFANDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-10(13)8-3-1-2-7(6-8)9-11-4-5-14-9/h1-6H,(H,12,13).
What are the key properties of 3-(1,3-thiazol-2-yl)benzoic acid?
3-(1,3-thiazol-2-yl)benzoic acid has a molecular weight of 205.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)benzoic acid is sourced from PubChem (CID 21075087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).