2-[[2-(2-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine

C15H13ClN2OS — CID 82190045

IUPAC2-[[2-(2-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine
SMILESNCCOc1ccc2nc(-c3ccccc3Cl)sc2c1
InChIInChI=1S/C15H13ClN2OS/c16-12-4-2-1-3-11(12)15-18-13-6-5-10(19-8-7-17)9-14(13)20-15/h1-6,9H,7-8,17H2
InChIKeyWFKPPPGUCHQOPY-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.95
Rot. Bonds4

About 2-[[2-(2-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine

2-[[2-(2-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine (PubChem CID 82190045) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine
PubChem CID82190045
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name2-[[2-(2-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine
SMILESNCCOc1ccc2nc(-c3ccccc3Cl)sc2c1
InChIInChI=1S/C15H13ClN2OS/c16-12-4-2-1-3-11(12)15-18-13-6-5-10(19-8-7-17)9-14(13)20-15/h1-6,9H,7-8,17H2
InChIKeyWFKPPPGUCHQOPY-UHFFFAOYSA-N
XLogP3.95
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine 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-[[2-(2-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine?
The IUPAC name of 2-[[2-(2-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine (CID 82190045) is 2-[[2-(2-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine is NCCOc1ccc2nc(-c3ccccc3Cl)sc2c1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine?
The InChIKey is WFKPPPGUCHQOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c16-12-4-2-1-3-11(12)15-18-13-6-5-10(19-8-7-17)9-14(13)20-15/h1-6,9H,7-8,17H2.
What are the key properties of 2-[[2-(2-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine?
2-[[2-(2-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine has a molecular weight of 304.80 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-1,3-benzothiazol-6-yl]oxy]ethanamine is sourced from PubChem (CID 82190045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).