3-thiophen-2-ylisoquinolin-1-amine;hydrochloride

C13H11ClN2S — CID 90681463

IUPAC3-thiophen-2-ylisoquinolin-1-amine;hydrochloride
SMILESCl.Nc1nc(-c2cccs2)cc2ccccc12
InChIInChI=1S/C13H10N2S.ClH/c14-13-10-5-2-1-4-9(10)8-11(15-13)12-6-3-7-16-12;/h1-8H,(H2,14,15);1H
InChIKeyVIMWHFSNTQROAQ-UHFFFAOYSA-N
MW262.77 g/mol
LogP3.97
Rot. Bonds1

About 3-thiophen-2-ylisoquinolin-1-amine;hydrochloride

3-thiophen-2-ylisoquinolin-1-amine;hydrochloride (PubChem CID 90681463) has the molecular formula C13H11ClN2S and a molecular weight of 262.77 g/mol. Its IUPAC name is 3-thiophen-2-ylisoquinolin-1-amine;hydrochloride.

Molecular Properties

Compound Name3-thiophen-2-ylisoquinolin-1-amine;hydrochloride
PubChem CID90681463
Molecular FormulaC13H11ClN2S
Molecular Weight262.77 g/mol
Exact Mass262.03
IUPAC Name3-thiophen-2-ylisoquinolin-1-amine;hydrochloride
SMILESCl.Nc1nc(-c2cccs2)cc2ccccc12
InChIInChI=1S/C13H10N2S.ClH/c14-13-10-5-2-1-4-9(10)8-11(15-13)12-6-3-7-16-12;/h1-8H,(H2,14,15);1H
InChIKeyVIMWHFSNTQROAQ-UHFFFAOYSA-N
XLogP3.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.77
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-thiophen-2-ylisoquinolin-1-amine;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 3-thiophen-2-ylisoquinolin-1-amine;hydrochloride?
The IUPAC name of 3-thiophen-2-ylisoquinolin-1-amine;hydrochloride (CID 90681463) is 3-thiophen-2-ylisoquinolin-1-amine;hydrochloride.
What is the SMILES notation for 3-thiophen-2-ylisoquinolin-1-amine;hydrochloride?
The canonical SMILES for 3-thiophen-2-ylisoquinolin-1-amine;hydrochloride is Cl.Nc1nc(-c2cccs2)cc2ccccc12.
What is the InChIKey of 3-thiophen-2-ylisoquinolin-1-amine;hydrochloride?
The InChIKey is VIMWHFSNTQROAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S.ClH/c14-13-10-5-2-1-4-9(10)8-11(15-13)12-6-3-7-16-12;/h1-8H,(H2,14,15);1H.
What are the key properties of 3-thiophen-2-ylisoquinolin-1-amine;hydrochloride?
3-thiophen-2-ylisoquinolin-1-amine;hydrochloride has a molecular weight of 262.77 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylisoquinolin-1-amine;hydrochloride is sourced from PubChem (CID 90681463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).