1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride

C9H11ClN2S — CID 68842404

IUPAC1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride
SMILESCC(N)c1ccc2ncsc2c1.Cl
InChIInChI=1S/C9H10N2S.ClH/c1-6(10)7-2-3-8-9(4-7)12-5-11-8;/h2-6H,10H2,1H3;1H
InChIKeyTUCSXALVGPCNHQ-UHFFFAOYSA-N
MW214.72 g/mol
LogP2.74
Rot. Bonds1

About 1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride

1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride (PubChem CID 68842404) has the molecular formula C9H11ClN2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride
PubChem CID68842404
Molecular FormulaC9H11ClN2S
Molecular Weight214.72 g/mol
Exact Mass214.03
IUPAC Name1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride
SMILESCC(N)c1ccc2ncsc2c1.Cl
InChIInChI=1S/C9H10N2S.ClH/c1-6(10)7-2-3-8-9(4-7)12-5-11-8;/h2-6H,10H2,1H3;1H
InChIKeyTUCSXALVGPCNHQ-UHFFFAOYSA-N
XLogP2.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride (CID 68842404) is 1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride is CC(N)c1ccc2ncsc2c1.Cl.
What is the InChIKey of 1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride?
The InChIKey is TUCSXALVGPCNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S.ClH/c1-6(10)7-2-3-8-9(4-7)12-5-11-8;/h2-6H,10H2,1H3;1H.
What are the key properties of 1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride?
1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride has a molecular weight of 214.72 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-6-yl)ethanamine;hydrochloride is sourced from PubChem (CID 68842404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).