6-fluoro-2-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid

C11H6FN3O2S — CID 114031249

IUPAC6-fluoro-2-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(F)cc2[nH]c(-c3cncs3)nc12
InChIInChI=1S/C11H6FN3O2S/c12-5-1-6(11(16)17)9-7(2-5)14-10(15-9)8-3-13-4-18-8/h1-4H,(H,14,15)(H,16,17)
InChIKeyJYOQGNZIZMGJOK-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.52
Rot. Bonds2

About 6-fluoro-2-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid

6-fluoro-2-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 114031249) has the molecular formula C11H6FN3O2S and a molecular weight of 263.25 g/mol. Its IUPAC name is 6-fluoro-2-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid
PubChem CID114031249
Molecular FormulaC11H6FN3O2S
Molecular Weight263.25 g/mol
Exact Mass263.02
IUPAC Name6-fluoro-2-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cc(F)cc2[nH]c(-c3cncs3)nc12
InChIInChI=1S/C11H6FN3O2S/c12-5-1-6(11(16)17)9-7(2-5)14-10(15-9)8-3-13-4-18-8/h1-4H,(H,14,15)(H,16,17)
InChIKeyJYOQGNZIZMGJOK-UHFFFAOYSA-N
XLogP2.52
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-fluoro-2-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid (CID 114031249) is 6-fluoro-2-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-fluoro-2-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cc(F)cc2[nH]c(-c3cncs3)nc12.
What is the InChIKey of 6-fluoro-2-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is JYOQGNZIZMGJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O2S/c12-5-1-6(11(16)17)9-7(2-5)14-10(15-9)8-3-13-4-18-8/h1-4H,(H,14,15)(H,16,17).
What are the key properties of 6-fluoro-2-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid?
6-fluoro-2-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 114031249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).