4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid

C16H9F2NO2S — CID 142384374

IUPAC4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(F)cc1-c1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H9F2NO2S/c17-10-3-1-9(2-4-10)14-8-19-15(22-14)13-7-11(18)5-6-12(13)16(20)21/h1-8H,(H,20,21)
InChIKeyNXPGENFBKWQNGF-UHFFFAOYSA-N
MW317.32 g/mol
LogP4.45
Rot. Bonds3

About 4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid

4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid (PubChem CID 142384374) has the molecular formula C16H9F2NO2S and a molecular weight of 317.32 g/mol. Its IUPAC name is 4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
PubChem CID142384374
Molecular FormulaC16H9F2NO2S
Molecular Weight317.32 g/mol
Exact Mass317.03
IUPAC Name4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
SMILESO=C(O)c1ccc(F)cc1-c1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H9F2NO2S/c17-10-3-1-9(2-4-10)14-8-19-15(22-14)13-7-11(18)5-6-12(13)16(20)21/h1-8H,(H,20,21)
InChIKeyNXPGENFBKWQNGF-UHFFFAOYSA-N
XLogP4.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid?
The IUPAC name of 4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid (CID 142384374) is 4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid?
The canonical SMILES for 4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid is O=C(O)c1ccc(F)cc1-c1ncc(-c2ccc(F)cc2)s1.
What is the InChIKey of 4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid?
The InChIKey is NXPGENFBKWQNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2NO2S/c17-10-3-1-9(2-4-10)14-8-19-15(22-14)13-7-11(18)5-6-12(13)16(20)21/h1-8H,(H,20,21).
What are the key properties of 4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid?
4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid has a molecular weight of 317.32 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid is sourced from PubChem (CID 142384374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).