3-(5-fluoro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid

C10H8FNO3S — CID 68555980

IUPAC3-(5-fluoro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid
SMILESO=C(O)CCn1c(=O)sc2ccc(F)cc21
InChIInChI=1S/C10H8FNO3S/c11-6-1-2-8-7(5-6)12(10(15)16-8)4-3-9(13)14/h1-2,5H,3-4H2,(H,13,14)
InChIKeyGHOSSNOCAVRUSE-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.68
Rot. Bonds3

About 3-(5-fluoro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid

3-(5-fluoro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid (PubChem CID 68555980) has the molecular formula C10H8FNO3S and a molecular weight of 241.24 g/mol. Its IUPAC name is 3-(5-fluoro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid
PubChem CID68555980
Molecular FormulaC10H8FNO3S
Molecular Weight241.24 g/mol
Exact Mass241.02
IUPAC Name3-(5-fluoro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid
SMILESO=C(O)CCn1c(=O)sc2ccc(F)cc21
InChIInChI=1S/C10H8FNO3S/c11-6-1-2-8-7(5-6)12(10(15)16-8)4-3-9(13)14/h1-2,5H,3-4H2,(H,13,14)
InChIKeyGHOSSNOCAVRUSE-UHFFFAOYSA-N
XLogP1.68
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-fluoro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid?
The IUPAC name of 3-(5-fluoro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid (CID 68555980) is 3-(5-fluoro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(5-fluoro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid?
The canonical SMILES for 3-(5-fluoro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid is O=C(O)CCn1c(=O)sc2ccc(F)cc21.
What is the InChIKey of 3-(5-fluoro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid?
The InChIKey is GHOSSNOCAVRUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3S/c11-6-1-2-8-7(5-6)12(10(15)16-8)4-3-9(13)14/h1-2,5H,3-4H2,(H,13,14).
What are the key properties of 3-(5-fluoro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid?
3-(5-fluoro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid has a molecular weight of 241.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-oxo-1,3-benzothiazol-3-yl)propanoic acid is sourced from PubChem (CID 68555980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).