3-thiophen-2-ylisoquinolin-1-amine

C13H10N2S — CID 24955965

IUPAC3-thiophen-2-ylisoquinolin-1-amine
SMILESNc1nc(-c2cccs2)cc2ccccc12
InChIInChI=1S/C13H10N2S/c14-13-10-5-2-1-4-9(10)8-11(15-13)12-6-3-7-16-12/h1-8H,(H2,14,15)
InChIKeyUFZYGGSMDGBXLD-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.55
Rot. Bonds1

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

3-thiophen-2-ylisoquinolin-1-amine (PubChem CID 24955965) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-thiophen-2-ylisoquinolin-1-amine.

Molecular Properties

Compound Name3-thiophen-2-ylisoquinolin-1-amine
PubChem CID24955965
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name3-thiophen-2-ylisoquinolin-1-amine
SMILESNc1nc(-c2cccs2)cc2ccccc12
InChIInChI=1S/C13H10N2S/c14-13-10-5-2-1-4-9(10)8-11(15-13)12-6-3-7-16-12/h1-8H,(H2,14,15)
InChIKeyUFZYGGSMDGBXLD-UHFFFAOYSA-N
XLogP3.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-thiophen-2-ylisoquinolin-1-amine 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?
The IUPAC name of 3-thiophen-2-ylisoquinolin-1-amine (CID 24955965) is 3-thiophen-2-ylisoquinolin-1-amine.
What is the SMILES notation for 3-thiophen-2-ylisoquinolin-1-amine?
The canonical SMILES for 3-thiophen-2-ylisoquinolin-1-amine is Nc1nc(-c2cccs2)cc2ccccc12.
What is the InChIKey of 3-thiophen-2-ylisoquinolin-1-amine?
The InChIKey is UFZYGGSMDGBXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c14-13-10-5-2-1-4-9(10)8-11(15-13)12-6-3-7-16-12/h1-8H,(H2,14,15).
What are the key properties of 3-thiophen-2-ylisoquinolin-1-amine?
3-thiophen-2-ylisoquinolin-1-amine has a molecular weight of 226.30 g/mol, XLogP of 3.55, 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 is sourced from PubChem (CID 24955965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).