2-[1,3-benzothiazol-2-yl(benzyl)amino]ethanol

C16H16N2OS — CID 10469125

IUPAC2-[1,3-benzothiazol-2-yl(benzyl)amino]ethanol
SMILESOCCN(Cc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C16H16N2OS/c19-11-10-18(12-13-6-2-1-3-7-13)16-17-14-8-4-5-9-15(14)20-16/h1-9,19H,10-12H2
InChIKeyCUDBDSSNBQKOFX-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.30
Rot. Bonds5

About 2-[1,3-benzothiazol-2-yl(benzyl)amino]ethanol

2-[1,3-benzothiazol-2-yl(benzyl)amino]ethanol (PubChem CID 10469125) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[1,3-benzothiazol-2-yl(benzyl)amino]ethanol.

Molecular Properties

Compound Name2-[1,3-benzothiazol-2-yl(benzyl)amino]ethanol
PubChem CID10469125
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-[1,3-benzothiazol-2-yl(benzyl)amino]ethanol
SMILESOCCN(Cc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C16H16N2OS/c19-11-10-18(12-13-6-2-1-3-7-13)16-17-14-8-4-5-9-15(14)20-16/h1-9,19H,10-12H2
InChIKeyCUDBDSSNBQKOFX-UHFFFAOYSA-N
XLogP3.30
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzothiazol-2-yl(benzyl)amino]ethanol?
The IUPAC name of 2-[1,3-benzothiazol-2-yl(benzyl)amino]ethanol (CID 10469125) is 2-[1,3-benzothiazol-2-yl(benzyl)amino]ethanol.
What is the SMILES notation for 2-[1,3-benzothiazol-2-yl(benzyl)amino]ethanol?
The canonical SMILES for 2-[1,3-benzothiazol-2-yl(benzyl)amino]ethanol is OCCN(Cc1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of 2-[1,3-benzothiazol-2-yl(benzyl)amino]ethanol?
The InChIKey is CUDBDSSNBQKOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c19-11-10-18(12-13-6-2-1-3-7-13)16-17-14-8-4-5-9-15(14)20-16/h1-9,19H,10-12H2.
What are the key properties of 2-[1,3-benzothiazol-2-yl(benzyl)amino]ethanol?
2-[1,3-benzothiazol-2-yl(benzyl)amino]ethanol has a molecular weight of 284.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzothiazol-2-yl(benzyl)amino]ethanol is sourced from PubChem (CID 10469125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).