3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic acid

C12H10FNO3S — CID 139369212

IUPAC3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(Oc2cc(F)cc3scnc23)C1
InChIInChI=1S/C12H10FNO3S/c13-7-3-9(11-10(4-7)18-5-14-11)17-8-1-6(2-8)12(15)16/h3-6,8H,1-2H2,(H,15,16)
InChIKeyUMYJSPARPSLRIT-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.68
Rot. Bonds3

About 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic acid

3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic acid (PubChem CID 139369212) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic acid
PubChem CID139369212
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Name3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(Oc2cc(F)cc3scnc23)C1
InChIInChI=1S/C12H10FNO3S/c13-7-3-9(11-10(4-7)18-5-14-11)17-8-1-6(2-8)12(15)16/h3-6,8H,1-2H2,(H,15,16)
InChIKeyUMYJSPARPSLRIT-UHFFFAOYSA-N
XLogP2.68
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic 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-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic acid (CID 139369212) is 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic acid is O=C(O)C1CC(Oc2cc(F)cc3scnc23)C1.
What is the InChIKey of 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic acid?
The InChIKey is UMYJSPARPSLRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c13-7-3-9(11-10(4-7)18-5-14-11)17-8-1-6(2-8)12(15)16/h3-6,8H,1-2H2,(H,15,16).
What are the key properties of 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic acid?
3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 139369212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).