2-phenyl-1,3-benzothiazol-6-ol

C13H9NOS — CID 10466286

IUPAC2-phenyl-1,3-benzothiazol-6-ol
SMILESOc1ccc2nc(-c3ccccc3)sc2c1
InChIInChI=1S/C13H9NOS/c15-10-6-7-11-12(8-10)16-13(14-11)9-4-2-1-3-5-9/h1-8,15H
InChIKeyQCYZKBYUZYTYEC-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.67
Rot. Bonds1

About 2-phenyl-1,3-benzothiazol-6-ol

2-phenyl-1,3-benzothiazol-6-ol (PubChem CID 10466286) has the molecular formula C13H9NOS and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-phenyl-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-phenyl-1,3-benzothiazol-6-ol
PubChem CID10466286
Molecular FormulaC13H9NOS
Molecular Weight227.29 g/mol
Exact Mass227.04
IUPAC Name2-phenyl-1,3-benzothiazol-6-ol
SMILESOc1ccc2nc(-c3ccccc3)sc2c1
InChIInChI=1S/C13H9NOS/c15-10-6-7-11-12(8-10)16-13(14-11)9-4-2-1-3-5-9/h1-8,15H
InChIKeyQCYZKBYUZYTYEC-UHFFFAOYSA-N
XLogP3.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-benzothiazol-6-ol?
The IUPAC name of 2-phenyl-1,3-benzothiazol-6-ol (CID 10466286) is 2-phenyl-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-phenyl-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-phenyl-1,3-benzothiazol-6-ol is Oc1ccc2nc(-c3ccccc3)sc2c1.
What is the InChIKey of 2-phenyl-1,3-benzothiazol-6-ol?
The InChIKey is QCYZKBYUZYTYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS/c15-10-6-7-11-12(8-10)16-13(14-11)9-4-2-1-3-5-9/h1-8,15H.
What are the key properties of 2-phenyl-1,3-benzothiazol-6-ol?
2-phenyl-1,3-benzothiazol-6-ol has a molecular weight of 227.29 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-benzothiazol-6-ol is sourced from PubChem (CID 10466286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).