2-(1,2-benzothiazol-3-yl)ethanamine;hydrochloride

C9H11ClN2S — CID 10375968

IUPAC2-(1,2-benzothiazol-3-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nsc2ccccc12
InChIInChI=1S/C9H10N2S.ClH/c10-6-5-8-7-3-1-2-4-9(7)12-11-8;/h1-4H,5-6,10H2;1H
InChIKeyIJAIZYGKJIDFEE-UHFFFAOYSA-N
MW214.72 g/mol
LogP2.22
Rot. Bonds2

About 2-(1,2-benzothiazol-3-yl)ethanamine;hydrochloride

2-(1,2-benzothiazol-3-yl)ethanamine;hydrochloride (PubChem CID 10375968) has the molecular formula C9H11ClN2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 2-(1,2-benzothiazol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1,2-benzothiazol-3-yl)ethanamine;hydrochloride
PubChem CID10375968
Molecular FormulaC9H11ClN2S
Molecular Weight214.72 g/mol
Exact Mass214.03
IUPAC Name2-(1,2-benzothiazol-3-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nsc2ccccc12
InChIInChI=1S/C9H10N2S.ClH/c10-6-5-8-7-3-1-2-4-9(7)12-11-8;/h1-4H,5-6,10H2;1H
InChIKeyIJAIZYGKJIDFEE-UHFFFAOYSA-N
XLogP2.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzothiazol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(1,2-benzothiazol-3-yl)ethanamine;hydrochloride (CID 10375968) is 2-(1,2-benzothiazol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1,2-benzothiazol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1,2-benzothiazol-3-yl)ethanamine;hydrochloride is Cl.NCCc1nsc2ccccc12.
What is the InChIKey of 2-(1,2-benzothiazol-3-yl)ethanamine;hydrochloride?
The InChIKey is IJAIZYGKJIDFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S.ClH/c10-6-5-8-7-3-1-2-4-9(7)12-11-8;/h1-4H,5-6,10H2;1H.
What are the key properties of 2-(1,2-benzothiazol-3-yl)ethanamine;hydrochloride?
2-(1,2-benzothiazol-3-yl)ethanamine;hydrochloride has a molecular weight of 214.72 g/mol, XLogP of 2.22, 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-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 10375968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).