3-(1,3-benzothiazol-5-yl)-5-fluorophenol

C13H8FNOS — CID 59282925

IUPAC3-(1,3-benzothiazol-5-yl)-5-fluorophenol
SMILESOc1cc(F)cc(-c2ccc3scnc3c2)c1
InChIInChI=1S/C13H8FNOS/c14-10-3-9(4-11(16)6-10)8-1-2-13-12(5-8)15-7-17-13/h1-7,16H
InChIKeyNCZNDMDKKFHNJY-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.81
Rot. Bonds1

About 3-(1,3-benzothiazol-5-yl)-5-fluorophenol

3-(1,3-benzothiazol-5-yl)-5-fluorophenol (PubChem CID 59282925) has the molecular formula C13H8FNOS and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-5-yl)-5-fluorophenol.

Molecular Properties

Compound Name3-(1,3-benzothiazol-5-yl)-5-fluorophenol
PubChem CID59282925
Molecular FormulaC13H8FNOS
Molecular Weight245.28 g/mol
Exact Mass245.03
IUPAC Name3-(1,3-benzothiazol-5-yl)-5-fluorophenol
SMILESOc1cc(F)cc(-c2ccc3scnc3c2)c1
InChIInChI=1S/C13H8FNOS/c14-10-3-9(4-11(16)6-10)8-1-2-13-12(5-8)15-7-17-13/h1-7,16H
InChIKeyNCZNDMDKKFHNJY-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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-5-yl)-5-fluorophenol?
The IUPAC name of 3-(1,3-benzothiazol-5-yl)-5-fluorophenol (CID 59282925) is 3-(1,3-benzothiazol-5-yl)-5-fluorophenol.
What is the SMILES notation for 3-(1,3-benzothiazol-5-yl)-5-fluorophenol?
The canonical SMILES for 3-(1,3-benzothiazol-5-yl)-5-fluorophenol is Oc1cc(F)cc(-c2ccc3scnc3c2)c1.
What is the InChIKey of 3-(1,3-benzothiazol-5-yl)-5-fluorophenol?
The InChIKey is NCZNDMDKKFHNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNOS/c14-10-3-9(4-11(16)6-10)8-1-2-13-12(5-8)15-7-17-13/h1-7,16H.
What are the key properties of 3-(1,3-benzothiazol-5-yl)-5-fluorophenol?
3-(1,3-benzothiazol-5-yl)-5-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 3-(1,3-benzothiazol-5-yl)-5-fluorophenol is sourced from PubChem (CID 59282925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).