2-(1,2-benzothiazol-7-yl)ethanol

C9H9NOS — CID 83674357

IUPAC2-(1,2-benzothiazol-7-yl)ethanol
SMILESOCCc1cccc2cnsc12
InChIInChI=1S/C9H9NOS/c11-5-4-7-2-1-3-8-6-10-12-9(7)8/h1-3,6,11H,4-5H2
InChIKeyBGECQLUZBWGLES-UHFFFAOYSA-N
MW179.24 g/mol
LogP1.83
Rot. Bonds2

About 2-(1,2-benzothiazol-7-yl)ethanol

2-(1,2-benzothiazol-7-yl)ethanol (PubChem CID 83674357) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-(1,2-benzothiazol-7-yl)ethanol.

Molecular Properties

Compound Name2-(1,2-benzothiazol-7-yl)ethanol
PubChem CID83674357
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name2-(1,2-benzothiazol-7-yl)ethanol
SMILESOCCc1cccc2cnsc12
InChIInChI=1S/C9H9NOS/c11-5-4-7-2-1-3-8-6-10-12-9(7)8/h1-3,6,11H,4-5H2
InChIKeyBGECQLUZBWGLES-UHFFFAOYSA-N
XLogP1.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,2-benzothiazol-7-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzothiazol-7-yl)ethanol?
The IUPAC name of 2-(1,2-benzothiazol-7-yl)ethanol (CID 83674357) is 2-(1,2-benzothiazol-7-yl)ethanol.
What is the SMILES notation for 2-(1,2-benzothiazol-7-yl)ethanol?
The canonical SMILES for 2-(1,2-benzothiazol-7-yl)ethanol is OCCc1cccc2cnsc12.
What is the InChIKey of 2-(1,2-benzothiazol-7-yl)ethanol?
The InChIKey is BGECQLUZBWGLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c11-5-4-7-2-1-3-8-6-10-12-9(7)8/h1-3,6,11H,4-5H2.
What are the key properties of 2-(1,2-benzothiazol-7-yl)ethanol?
2-(1,2-benzothiazol-7-yl)ethanol has a molecular weight of 179.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzothiazol-7-yl)ethanol is sourced from PubChem (CID 83674357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).