1,2-benzothiazol-3-ylmethanamine;hydrochloride

C8H9ClN2S — CID 122156687

IUPAC1,2-benzothiazol-3-ylmethanamine;hydrochloride
SMILESCl.NCc1nsc2ccccc12
InChIInChI=1S/C8H8N2S.ClH/c9-5-7-6-3-1-2-4-8(6)11-10-7;/h1-4H,5,9H2;1H
InChIKeyYFBDODSMXGYBQN-UHFFFAOYSA-N
MW200.69 g/mol
LogP2.18
Rot. Bonds1

About 1,2-benzothiazol-3-ylmethanamine;hydrochloride

1,2-benzothiazol-3-ylmethanamine;hydrochloride (PubChem CID 122156687) has the molecular formula C8H9ClN2S and a molecular weight of 200.69 g/mol. Its IUPAC name is 1,2-benzothiazol-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name1,2-benzothiazol-3-ylmethanamine;hydrochloride
PubChem CID122156687
Molecular FormulaC8H9ClN2S
Molecular Weight200.69 g/mol
Exact Mass200.02
IUPAC Name1,2-benzothiazol-3-ylmethanamine;hydrochloride
SMILESCl.NCc1nsc2ccccc12
InChIInChI=1S/C8H8N2S.ClH/c9-5-7-6-3-1-2-4-8(6)11-10-7;/h1-4H,5,9H2;1H
InChIKeyYFBDODSMXGYBQN-UHFFFAOYSA-N
XLogP2.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,2-benzothiazol-3-ylmethanamine;hydrochloride 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 1,2-benzothiazol-3-ylmethanamine;hydrochloride?
The IUPAC name of 1,2-benzothiazol-3-ylmethanamine;hydrochloride (CID 122156687) is 1,2-benzothiazol-3-ylmethanamine;hydrochloride.
What is the SMILES notation for 1,2-benzothiazol-3-ylmethanamine;hydrochloride?
The canonical SMILES for 1,2-benzothiazol-3-ylmethanamine;hydrochloride is Cl.NCc1nsc2ccccc12.
What is the InChIKey of 1,2-benzothiazol-3-ylmethanamine;hydrochloride?
The InChIKey is YFBDODSMXGYBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S.ClH/c9-5-7-6-3-1-2-4-8(6)11-10-7;/h1-4H,5,9H2;1H.
What are the key properties of 1,2-benzothiazol-3-ylmethanamine;hydrochloride?
1,2-benzothiazol-3-ylmethanamine;hydrochloride has a molecular weight of 200.69 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzothiazol-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 122156687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).