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

C22H14FNO2S — CID 118577120

IUPAC2-fluoro-5-[3-(2-phenyl-1,3-thiazol-5-yl)phenyl]benzoic acid
SMILESO=C(O)c1cc(-c2cccc(-c3cnc(-c4ccccc4)s3)c2)ccc1F
InChIInChI=1S/C22H14FNO2S/c23-19-10-9-16(12-18(19)22(25)26)15-7-4-8-17(11-15)20-13-24-21(27-20)14-5-2-1-3-6-14/h1-13H,(H,25,26)
InChIKeyOGGNUHVROBNGMV-UHFFFAOYSA-N
MW375.42 g/mol
LogP5.98
Rot. Bonds4

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

2-fluoro-5-[3-(2-phenyl-1,3-thiazol-5-yl)phenyl]benzoic acid (PubChem CID 118577120) has the molecular formula C22H14FNO2S and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-fluoro-5-[3-(2-phenyl-1,3-thiazol-5-yl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[3-(2-phenyl-1,3-thiazol-5-yl)phenyl]benzoic acid
PubChem CID118577120
Molecular FormulaC22H14FNO2S
Molecular Weight375.42 g/mol
Exact Mass375.07
IUPAC Name2-fluoro-5-[3-(2-phenyl-1,3-thiazol-5-yl)phenyl]benzoic acid
SMILESO=C(O)c1cc(-c2cccc(-c3cnc(-c4ccccc4)s3)c2)ccc1F
InChIInChI=1S/C22H14FNO2S/c23-19-10-9-16(12-18(19)22(25)26)15-7-4-8-17(11-15)20-13-24-21(27-20)14-5-2-1-3-6-14/h1-13H,(H,25,26)
InChIKeyOGGNUHVROBNGMV-UHFFFAOYSA-N
XLogP5.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[3-(2-phenyl-1,3-thiazol-5-yl)phenyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[3-(2-phenyl-1,3-thiazol-5-yl)phenyl]benzoic acid (CID 118577120) is 2-fluoro-5-[3-(2-phenyl-1,3-thiazol-5-yl)phenyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[3-(2-phenyl-1,3-thiazol-5-yl)phenyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[3-(2-phenyl-1,3-thiazol-5-yl)phenyl]benzoic acid is O=C(O)c1cc(-c2cccc(-c3cnc(-c4ccccc4)s3)c2)ccc1F.
What is the InChIKey of 2-fluoro-5-[3-(2-phenyl-1,3-thiazol-5-yl)phenyl]benzoic acid?
The InChIKey is OGGNUHVROBNGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FNO2S/c23-19-10-9-16(12-18(19)22(25)26)15-7-4-8-17(11-15)20-13-24-21(27-20)14-5-2-1-3-6-14/h1-13H,(H,25,26).
What are the key properties of 2-fluoro-5-[3-(2-phenyl-1,3-thiazol-5-yl)phenyl]benzoic acid?
2-fluoro-5-[3-(2-phenyl-1,3-thiazol-5-yl)phenyl]benzoic acid has a molecular weight of 375.42 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[3-(2-phenyl-1,3-thiazol-5-yl)phenyl]benzoic acid is sourced from PubChem (CID 118577120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).