4-thiophen-2-ylisoquinolin-3-amine

C13H10N2S — CID 138975195

IUPAC4-thiophen-2-ylisoquinolin-3-amine
SMILESNc1ncc2ccccc2c1-c1cccs1
InChIInChI=1S/C13H10N2S/c14-13-12(11-6-3-7-16-11)10-5-2-1-4-9(10)8-15-13/h1-8H,(H2,14,15)
InChIKeyWEGXYHHQJIDZTF-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.55
Rot. Bonds1

About 4-thiophen-2-ylisoquinolin-3-amine

4-thiophen-2-ylisoquinolin-3-amine (PubChem CID 138975195) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-thiophen-2-ylisoquinolin-3-amine.

Molecular Properties

Compound Name4-thiophen-2-ylisoquinolin-3-amine
PubChem CID138975195
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name4-thiophen-2-ylisoquinolin-3-amine
SMILESNc1ncc2ccccc2c1-c1cccs1
InChIInChI=1S/C13H10N2S/c14-13-12(11-6-3-7-16-11)10-5-2-1-4-9(10)8-15-13/h1-8H,(H2,14,15)
InChIKeyWEGXYHHQJIDZTF-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 4-thiophen-2-ylisoquinolin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenylisoquinolin-3-amine
CID 21162095
3-thiophen-2-ylisoquinolin-1-amine
CID 24955965
2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene
CID 71444357
ethane;4-methylisoquinolin-3-amine
CID 145004950
2-(10-naphthalen-1-ylanthracen-9-yl)thiophene
CID 89341887
6-amino-5-(1,3-benzothiazol-2-yl)-4-thiophen-2-ylpyridine-3-carbonitrile
CID 54768671
2-thiophen-2-ylbenzene-1,3-diamine
CID 69383856
4-(bromomethyl)isoquinolin-3-amine
CID 155026311
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
5-(1-benzofuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62503235
3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid
CID 82470643
(3-thiophen-2-ylisoquinolin-1-yl)hydrazine
CID 119085094

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylisoquinolin-3-amine?
The IUPAC name of 4-thiophen-2-ylisoquinolin-3-amine (CID 138975195) is 4-thiophen-2-ylisoquinolin-3-amine.
What is the SMILES notation for 4-thiophen-2-ylisoquinolin-3-amine?
The canonical SMILES for 4-thiophen-2-ylisoquinolin-3-amine is Nc1ncc2ccccc2c1-c1cccs1.
What is the InChIKey of 4-thiophen-2-ylisoquinolin-3-amine?
The InChIKey is WEGXYHHQJIDZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c14-13-12(11-6-3-7-16-11)10-5-2-1-4-9(10)8-15-13/h1-8H,(H2,14,15).
What are the key properties of 4-thiophen-2-ylisoquinolin-3-amine?
4-thiophen-2-ylisoquinolin-3-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 4-thiophen-2-ylisoquinolin-3-amine is sourced from PubChem (CID 138975195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).