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

C15H10FNO2S — CID 59282919

IUPAC3-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one
SMILESO=c1sc2cc(O)ccc2n1/C=C/c1cccc(F)c1
InChIInChI=1S/C15H10FNO2S/c16-11-3-1-2-10(8-11)6-7-17-13-5-4-12(18)9-14(13)20-15(17)19/h1-9,18H/b7-6+
InChIKeyMUEVGLPROMMLNQ-VOTSOKGWSA-N
MW287.32 g/mol
LogP3.54
Rot. Bonds2

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

3-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one (PubChem CID 59282919) has the molecular formula C15H10FNO2S and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one
PubChem CID59282919
Molecular FormulaC15H10FNO2S
Molecular Weight287.32 g/mol
Exact Mass287.04
IUPAC Name3-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one
SMILESO=c1sc2cc(O)ccc2n1/C=C/c1cccc(F)c1
InChIInChI=1S/C15H10FNO2S/c16-11-3-1-2-10(8-11)6-7-17-13-5-4-12(18)9-14(13)20-15(17)19/h1-9,18H/b7-6+
InChIKeyMUEVGLPROMMLNQ-VOTSOKGWSA-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-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one?
The IUPAC name of 3-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one (CID 59282919) is 3-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one?
The canonical SMILES for 3-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one is O=c1sc2cc(O)ccc2n1/C=C/c1cccc(F)c1.
What is the InChIKey of 3-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one?
The InChIKey is MUEVGLPROMMLNQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H10FNO2S/c16-11-3-1-2-10(8-11)6-7-17-13-5-4-12(18)9-14(13)20-15(17)19/h1-9,18H/b7-6+.
What are the key properties of 3-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one?
3-[(E)-2-(3-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-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one is sourced from PubChem (CID 59282919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).