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

C11H8FNO3S — CID 68704986

IUPAC2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCc2cscn2)cc1F
InChIInChI=1S/C11H8FNO3S/c12-10-3-8(1-2-9(10)11(14)15)16-4-7-5-17-6-13-7/h1-3,5-6H,4H2,(H,14,15)
InChIKeyFVEXYSMNHURQRY-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.56
Rot. Bonds4

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

2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid (PubChem CID 68704986) has the molecular formula C11H8FNO3S and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid
PubChem CID68704986
Molecular FormulaC11H8FNO3S
Molecular Weight253.25 g/mol
Exact Mass253.02
IUPAC Name2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCc2cscn2)cc1F
InChIInChI=1S/C11H8FNO3S/c12-10-3-8(1-2-9(10)11(14)15)16-4-7-5-17-6-13-7/h1-3,5-6H,4H2,(H,14,15)
InChIKeyFVEXYSMNHURQRY-UHFFFAOYSA-N
XLogP2.56
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid?
The IUPAC name of 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid (CID 68704986) is 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid?
The canonical SMILES for 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid is O=C(O)c1ccc(OCc2cscn2)cc1F.
What is the InChIKey of 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid?
The InChIKey is FVEXYSMNHURQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3S/c12-10-3-8(1-2-9(10)11(14)15)16-4-7-5-17-6-13-7/h1-3,5-6H,4H2,(H,14,15).
What are the key properties of 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid?
2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid has a molecular weight of 253.25 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid is sourced from PubChem (CID 68704986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).