2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine;hydrochloride

C9H10Cl2N2S — CID 71755889

IUPAC2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C9H9ClN2S.ClH/c10-6-1-2-8-7(5-6)12-9(13-8)3-4-11;/h1-2,5H,3-4,11H2;1H
InChIKeyJJPBWCIHXKXTKF-UHFFFAOYSA-N
MW249.17 g/mol
LogP2.87
Rot. Bonds2

About 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine;hydrochloride

2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine;hydrochloride (PubChem CID 71755889) has the molecular formula C9H10Cl2N2S and a molecular weight of 249.17 g/mol. Its IUPAC name is 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine;hydrochloride
PubChem CID71755889
Molecular FormulaC9H10Cl2N2S
Molecular Weight249.17 g/mol
Exact Mass247.99
IUPAC Name2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C9H9ClN2S.ClH/c10-6-1-2-8-7(5-6)12-9(13-8)3-4-11;/h1-2,5H,3-4,11H2;1H
InChIKeyJJPBWCIHXKXTKF-UHFFFAOYSA-N
XLogP2.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.17
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine;hydrochloride (CID 71755889) is 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine;hydrochloride is Cl.NCCc1nc2cc(Cl)ccc2s1.
What is the InChIKey of 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine;hydrochloride?
The InChIKey is JJPBWCIHXKXTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S.ClH/c10-6-1-2-8-7(5-6)12-9(13-8)3-4-11;/h1-2,5H,3-4,11H2;1H.
What are the key properties of 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine;hydrochloride?
2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine;hydrochloride has a molecular weight of 249.17 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 71755889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).