4-(1,2-thiazol-5-yl)benzoic acid

C10H7NO2S — CID 53426798

IUPAC4-(1,2-thiazol-5-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccns2)cc1
InChIInChI=1S/C10H7NO2S/c12-10(13)8-3-1-7(2-4-8)9-5-6-11-14-9/h1-6H,(H,12,13)
InChIKeyVGSYPDUJBVLGGI-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.51
Rot. Bonds2

About 4-(1,2-thiazol-5-yl)benzoic acid

4-(1,2-thiazol-5-yl)benzoic acid (PubChem CID 53426798) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-(1,2-thiazol-5-yl)benzoic acid.

Molecular Properties

Compound Name4-(1,2-thiazol-5-yl)benzoic acid
PubChem CID53426798
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name4-(1,2-thiazol-5-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccns2)cc1
InChIInChI=1S/C10H7NO2S/c12-10(13)8-3-1-7(2-4-8)9-5-6-11-14-9/h1-6H,(H,12,13)
InChIKeyVGSYPDUJBVLGGI-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

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Related Compounds

4-[5-[5-(4-carboxyphenyl)thiophen-2-yl]thiophen-2-yl]benzoic acid
CID 53472843
4-pyrimidin-2-ylbenzoic acid;hydrochloride
CID 45117414
4-(3-methyl-1,2-thiazol-5-yl)benzoic acid
CID 82615707
terephthalic acid
CID 160582437
4-cyclopropyl-3-[[2-phenyl-5-(1,2-thiazol-5-yl)phenyl]methylsulfonyl]benzoic acid
CID 167542811
4-(1H-imidazol-2-yl)benzoic acid;hydrochloride
CID 68829715
4-[5-(4-carboxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid
CID 13351514
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
terephthalic acid;dihydrofluoride
CID 70485309
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-thiazol-5-yl)benzoic acid?
The IUPAC name of 4-(1,2-thiazol-5-yl)benzoic acid (CID 53426798) is 4-(1,2-thiazol-5-yl)benzoic acid.
What is the SMILES notation for 4-(1,2-thiazol-5-yl)benzoic acid?
The canonical SMILES for 4-(1,2-thiazol-5-yl)benzoic acid is O=C(O)c1ccc(-c2ccns2)cc1.
What is the InChIKey of 4-(1,2-thiazol-5-yl)benzoic acid?
The InChIKey is VGSYPDUJBVLGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-10(13)8-3-1-7(2-4-8)9-5-6-11-14-9/h1-6H,(H,12,13).
What are the key properties of 4-(1,2-thiazol-5-yl)benzoic acid?
4-(1,2-thiazol-5-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 4-(1,2-thiazol-5-yl)benzoic acid is sourced from PubChem (CID 53426798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).