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

C10H6FNO2S — CID 130826259

IUPAC2-fluoro-5-(1,2-thiazol-5-yl)benzoic acid
SMILESO=C(O)c1cc(-c2ccns2)ccc1F
InChIInChI=1S/C10H6FNO2S/c11-8-2-1-6(5-7(8)10(13)14)9-3-4-12-15-9/h1-5H,(H,13,14)
InChIKeyAQOCNWMEJXXEBA-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.65
Rot. Bonds2

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

2-fluoro-5-(1,2-thiazol-5-yl)benzoic acid (PubChem CID 130826259) has the molecular formula C10H6FNO2S and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-fluoro-5-(1,2-thiazol-5-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(1,2-thiazol-5-yl)benzoic acid
PubChem CID130826259
Molecular FormulaC10H6FNO2S
Molecular Weight223.23 g/mol
Exact Mass223.01
IUPAC Name2-fluoro-5-(1,2-thiazol-5-yl)benzoic acid
SMILESO=C(O)c1cc(-c2ccns2)ccc1F
InChIInChI=1S/C10H6FNO2S/c11-8-2-1-6(5-7(8)10(13)14)9-3-4-12-15-9/h1-5H,(H,13,14)
InChIKeyAQOCNWMEJXXEBA-UHFFFAOYSA-N
XLogP2.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-fluoro-5-(2-methyl-1H-imidazol-5-yl)benzoic acid
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5-(2,4-difluorophenyl)-2-fluorobenzoic acid
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5-bromo-2-(1,2-thiazol-5-yl)benzoic acid
CID 130986270
2-fluoro-5-(5-formylthiophen-3-yl)benzoic acid
CID 53225743
2-fluoro-5-(4-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225685
2-fluoro-5-(2,4,5-trimethylphenyl)benzoic acid
CID 64984855
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1,2-thiazol-5-yl)benzoic acid?
The IUPAC name of 2-fluoro-5-(1,2-thiazol-5-yl)benzoic acid (CID 130826259) is 2-fluoro-5-(1,2-thiazol-5-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(1,2-thiazol-5-yl)benzoic acid?
The canonical SMILES for 2-fluoro-5-(1,2-thiazol-5-yl)benzoic acid is O=C(O)c1cc(-c2ccns2)ccc1F.
What is the InChIKey of 2-fluoro-5-(1,2-thiazol-5-yl)benzoic acid?
The InChIKey is AQOCNWMEJXXEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2S/c11-8-2-1-6(5-7(8)10(13)14)9-3-4-12-15-9/h1-5H,(H,13,14).
What are the key properties of 2-fluoro-5-(1,2-thiazol-5-yl)benzoic acid?
2-fluoro-5-(1,2-thiazol-5-yl)benzoic acid has a molecular weight of 223.23 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1,2-thiazol-5-yl)benzoic acid is sourced from PubChem (CID 130826259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).