3-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzothiazol-2-one

C15H11NO2S — CID 68588266

IUPAC3-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzothiazol-2-one
SMILESO=c1sc2ccccc2n1C=Cc1ccc(O)cc1
InChIInChI=1S/C15H11NO2S/c17-12-7-5-11(6-8-12)9-10-16-13-3-1-2-4-14(13)19-15(16)18/h1-10,17H
InChIKeyARLYABDYNYSBDB-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.40
Rot. Bonds2

About 3-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzothiazol-2-one

3-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzothiazol-2-one (PubChem CID 68588266) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzothiazol-2-one
PubChem CID68588266
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Name3-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzothiazol-2-one
SMILESO=c1sc2ccccc2n1C=Cc1ccc(O)cc1
InChIInChI=1S/C15H11NO2S/c17-12-7-5-11(6-8-12)9-10-16-13-3-1-2-4-14(13)19-15(16)18/h1-10,17H
InChIKeyARLYABDYNYSBDB-UHFFFAOYSA-N
XLogP3.40
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylphenoxy)methyl]-1,3-benzothiazol-2(3H)-one
CID 779841
3-(4-Methoxy-benzyl)-3H-benzothiazol-2-one
CID 649921
2,3-Bis(4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 71818861
(1Z)-1-(3-benzyl-5-hydroxy-1,3-benzothiazol-2-ylidene)propan-2-one
CID 172444662
2(3H)-Benzothiazolone, 6-hydroxy-3-methyl-
CID 11830047
4-[(Z)-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 135537572
ST51021061
CID 3638079
3-[(E)-2-(4-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one
CID 59282858
3-[(E)-2-(3-fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one
CID 59282919
3-[2-(3-Fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one
CID 67186415
3-[2-(4-Fluorophenyl)ethenyl]-6-hydroxy-1,3-benzothiazol-2-one
CID 67186792
3-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 130427988

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzothiazol-2-one?
The IUPAC name of 3-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzothiazol-2-one (CID 68588266) is 3-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzothiazol-2-one?
The canonical SMILES for 3-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzothiazol-2-one is O=c1sc2ccccc2n1C=Cc1ccc(O)cc1.
What is the InChIKey of 3-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzothiazol-2-one?
The InChIKey is ARLYABDYNYSBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c17-12-7-5-11(6-8-12)9-10-16-13-3-1-2-4-14(13)19-15(16)18/h1-10,17H.
What are the key properties of 3-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzothiazol-2-one?
3-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzothiazol-2-one has a molecular weight of 269.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzothiazol-2-one is sourced from PubChem (CID 68588266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).