5-fluoro-2-phenyl-1,2-benzothiazol-3-one

C13H8FNOS — CID 22416235

IUPAC5-fluoro-2-phenyl-1,2-benzothiazol-3-one
SMILESO=c1c2cc(F)ccc2sn1-c1ccccc1
InChIInChI=1S/C13H8FNOS/c14-9-6-7-12-11(8-9)13(16)15(17-12)10-4-2-1-3-5-10/h1-8H
InChIKeyZTQXZKHEMCRFEP-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.19
Rot. Bonds1

About 5-fluoro-2-phenyl-1,2-benzothiazol-3-one

5-fluoro-2-phenyl-1,2-benzothiazol-3-one (PubChem CID 22416235) has the molecular formula C13H8FNOS and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-fluoro-2-phenyl-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name5-fluoro-2-phenyl-1,2-benzothiazol-3-one
PubChem CID22416235
Molecular FormulaC13H8FNOS
Molecular Weight245.28 g/mol
Exact Mass245.03
IUPAC Name5-fluoro-2-phenyl-1,2-benzothiazol-3-one
SMILESO=c1c2cc(F)ccc2sn1-c1ccccc1
InChIInChI=1S/C13H8FNOS/c14-9-6-7-12-11(8-9)13(16)15(17-12)10-4-2-1-3-5-10/h1-8H
InChIKeyZTQXZKHEMCRFEP-UHFFFAOYSA-N
XLogP3.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-phenyl-1,2-benzothiazol-3-one?
The IUPAC name of 5-fluoro-2-phenyl-1,2-benzothiazol-3-one (CID 22416235) is 5-fluoro-2-phenyl-1,2-benzothiazol-3-one.
What is the SMILES notation for 5-fluoro-2-phenyl-1,2-benzothiazol-3-one?
The canonical SMILES for 5-fluoro-2-phenyl-1,2-benzothiazol-3-one is O=c1c2cc(F)ccc2sn1-c1ccccc1.
What is the InChIKey of 5-fluoro-2-phenyl-1,2-benzothiazol-3-one?
The InChIKey is ZTQXZKHEMCRFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNOS/c14-9-6-7-12-11(8-9)13(16)15(17-12)10-4-2-1-3-5-10/h1-8H.
What are the key properties of 5-fluoro-2-phenyl-1,2-benzothiazol-3-one?
5-fluoro-2-phenyl-1,2-benzothiazol-3-one has a molecular weight of 245.28 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-phenyl-1,2-benzothiazol-3-one is sourced from PubChem (CID 22416235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).