3-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one

C15H10FNO2S — CID 67186792

IUPAC3-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one
SMILESO=c1sc2cc(O)ccc2n1C=Cc1ccc(F)cc1
InChIInChI=1S/C15H10FNO2S/c16-11-3-1-10(2-4-11)7-8-17-13-6-5-12(18)9-14(13)20-15(17)19/h1-9,18H
InChIKeyARUIIGCJGSHSKQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.54
Rot. Bonds2

About 3-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one

3-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one (PubChem CID 67186792) has the molecular formula C15H10FNO2S and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one
PubChem CID67186792
Molecular FormulaC15H10FNO2S
Molecular Weight287.32 g/mol
Exact Mass287.04
IUPAC Name3-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one
SMILESO=c1sc2cc(O)ccc2n1C=Cc1ccc(F)cc1
InChIInChI=1S/C15H10FNO2S/c16-11-3-1-10(2-4-11)7-8-17-13-6-5-12(18)9-14(13)20-15(17)19/h1-9,18H
InChIKeyARUIIGCJGSHSKQ-UHFFFAOYSA-N
XLogP3.54
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one?
The IUPAC name of 3-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one (CID 67186792) is 3-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one is O=c1sc2cc(O)ccc2n1C=Cc1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one?
The InChIKey is ARUIIGCJGSHSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2S/c16-11-3-1-10(2-4-11)7-8-17-13-6-5-12(18)9-14(13)20-15(17)19/h1-9,18H.
What are the key properties of 3-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one?
3-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one has a molecular weight of 287.32 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one is sourced from PubChem (CID 67186792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).