2-(1,3-benzothiazol-2-yl)-4-fluorophenol

C13H8FNOS — CID 135563662

IUPAC2-(1,3-benzothiazol-2-yl)-4-fluorophenol
SMILESOc1ccc(F)cc1-c1nc2ccccc2s1
InChIInChI=1S/C13H8FNOS/c14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13/h1-7,16H
InChIKeySWYVTAFRNPDKQD-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.81
Rot. Bonds1

About 2-(1,3-benzothiazol-2-yl)-4-fluorophenol

2-(1,3-benzothiazol-2-yl)-4-fluorophenol (PubChem CID 135563662) has the molecular formula C13H8FNOS and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-4-fluorophenol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-4-fluorophenol
PubChem CID135563662
Molecular FormulaC13H8FNOS
Molecular Weight245.28 g/mol
Exact Mass245.03
IUPAC Name2-(1,3-benzothiazol-2-yl)-4-fluorophenol
SMILESOc1ccc(F)cc1-c1nc2ccccc2s1
InChIInChI=1S/C13H8FNOS/c14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13/h1-7,16H
InChIKeySWYVTAFRNPDKQD-UHFFFAOYSA-N
XLogP3.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,3-benzothiazol-2-yl)-4-fluorophenol 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 2-(1,3-benzothiazol-2-yl)-4-fluorophenol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-4-fluorophenol (CID 135563662) is 2-(1,3-benzothiazol-2-yl)-4-fluorophenol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-4-fluorophenol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-4-fluorophenol is Oc1ccc(F)cc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-4-fluorophenol?
The InChIKey is SWYVTAFRNPDKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNOS/c14-8-5-6-11(16)9(7-8)13-15-10-3-1-2-4-12(10)17-13/h1-7,16H.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-4-fluorophenol?
2-(1,3-benzothiazol-2-yl)-4-fluorophenol has a molecular weight of 245.28 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-4-fluorophenol is sourced from PubChem (CID 135563662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).