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

C15H13NO2S — CID 155554740

IUPAC5-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one
SMILESO=c1c2cc(O)ccc2sn1CCc1ccccc1
InChIInChI=1S/C15H13NO2S/c17-12-6-7-14-13(10-12)15(18)16(19-14)9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
InChIKeyXTSKMXPXHWKYDK-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.01
Rot. Bonds3

About 5-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one

5-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one (PubChem CID 155554740) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name5-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one
PubChem CID155554740
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name5-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one
SMILESO=c1c2cc(O)ccc2sn1CCc1ccccc1
InChIInChI=1S/C15H13NO2S/c17-12-6-7-14-13(10-12)15(18)16(19-14)9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2
InChIKeyXTSKMXPXHWKYDK-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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Related Compounds

2-[2-(4-Hydroxyphenyl)acetyl]-1,2-benzothiazol-3-one
CID 118724020
5-Methoxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one
CID 155513347
6-Hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one
CID 155553916
3-(Pyrrolidine-1-carbonyl)phenol
CID 13342535
2-(3-Hydroxybenzyl)benzo[d]isothiazol-3(2h)-one
CID 102056950
2-(3-Hydroxybenzyl)benzo[d]isothiazol-3(2h)-one-1,1-dioxide
CID 155902987
N-[(2-hydroxyphenyl)sulfanyl]phthalimide
CID 164576199
2-[(3-Hydroxyphenyl)methyl]isoindole-1,3-dione
CID 1235474
2-Benzyl-5-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one
CID 21304748
3-hydroxy-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
CID 22070442
5-Methoxy-2-(2-oxopropyl)-1,2-benzothiazol-3-one
CID 57281285
1,2-Benzothiazol-3-one;phenol
CID 67764230

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one?
The IUPAC name of 5-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one (CID 155554740) is 5-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one.
What is the SMILES notation for 5-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one?
The canonical SMILES for 5-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one is O=c1c2cc(O)ccc2sn1CCc1ccccc1.
What is the InChIKey of 5-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one?
The InChIKey is XTSKMXPXHWKYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c17-12-6-7-14-13(10-12)15(18)16(19-14)9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2.
What are the key properties of 5-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one?
5-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 5-hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one is sourced from PubChem (CID 155554740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).