3-fluoro-4-(1,3-thiazol-2-yloxy)benzoic acid

C10H6FNO3S — CID 12785121

IUPAC3-fluoro-4-(1,3-thiazol-2-yloxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2nccs2)c(F)c1
InChIInChI=1S/C10H6FNO3S/c11-7-5-6(9(13)14)1-2-8(7)15-10-12-3-4-16-10/h1-5H,(H,13,14)
InChIKeyUQBFRVZMHKGZPO-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.77
Rot. Bonds3

About 3-fluoro-4-(1,3-thiazol-2-yloxy)benzoic acid

3-fluoro-4-(1,3-thiazol-2-yloxy)benzoic acid (PubChem CID 12785121) has the molecular formula C10H6FNO3S and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-fluoro-4-(1,3-thiazol-2-yloxy)benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-(1,3-thiazol-2-yloxy)benzoic acid
PubChem CID12785121
Molecular FormulaC10H6FNO3S
Molecular Weight239.23 g/mol
Exact Mass239.01
IUPAC Name3-fluoro-4-(1,3-thiazol-2-yloxy)benzoic acid
SMILESO=C(O)c1ccc(Oc2nccs2)c(F)c1
InChIInChI=1S/C10H6FNO3S/c11-7-5-6(9(13)14)1-2-8(7)15-10-12-3-4-16-10/h1-5H,(H,13,14)
InChIKeyUQBFRVZMHKGZPO-UHFFFAOYSA-N
XLogP2.77
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1,3-thiazol-2-yloxy)benzoic acid?
The IUPAC name of 3-fluoro-4-(1,3-thiazol-2-yloxy)benzoic acid (CID 12785121) is 3-fluoro-4-(1,3-thiazol-2-yloxy)benzoic acid.
What is the SMILES notation for 3-fluoro-4-(1,3-thiazol-2-yloxy)benzoic acid?
The canonical SMILES for 3-fluoro-4-(1,3-thiazol-2-yloxy)benzoic acid is O=C(O)c1ccc(Oc2nccs2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(1,3-thiazol-2-yloxy)benzoic acid?
The InChIKey is UQBFRVZMHKGZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO3S/c11-7-5-6(9(13)14)1-2-8(7)15-10-12-3-4-16-10/h1-5H,(H,13,14).
What are the key properties of 3-fluoro-4-(1,3-thiazol-2-yloxy)benzoic acid?
3-fluoro-4-(1,3-thiazol-2-yloxy)benzoic acid has a molecular weight of 239.23 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1,3-thiazol-2-yloxy)benzoic acid is sourced from PubChem (CID 12785121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).