6-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one

C15H13NO2S — CID 155553916

IUPAC6-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one
SMILESO=c1c2ccc(O)cc2sn1CCc1ccccc1
InChIInChI=1S/C15H13NO2S/c17-12-6-7-13-14(10-12)19-16(15(13)18)9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
InChIKeyFIOOCMKJIVEJDO-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.01
Rot. Bonds3

About 6-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one

6-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one (PubChem CID 155553916) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 6-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name6-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one
PubChem CID155553916
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name6-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one
SMILESO=c1c2ccc(O)cc2sn1CCc1ccccc1
InChIInChI=1S/C15H13NO2S/c17-12-6-7-13-14(10-12)19-16(15(13)18)9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
InChIKeyFIOOCMKJIVEJDO-UHFFFAOYSA-N
XLogP3.01
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one?
The IUPAC name of 6-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one (CID 155553916) is 6-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one.
What is the SMILES notation for 6-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one?
The canonical SMILES for 6-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one is O=c1c2ccc(O)cc2sn1CCc1ccccc1.
What is the InChIKey of 6-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one?
The InChIKey is FIOOCMKJIVEJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c17-12-6-7-13-14(10-12)19-16(15(13)18)9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2.
What are the key properties of 6-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one?
6-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one has a molecular weight of 271.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one is sourced from PubChem (CID 155553916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).