4-amino-2-formyl-1-benzothiophene-7-carbonitrile

C10H6N2OS — CID 130803481

IUPAC4-amino-2-formyl-1-benzothiophene-7-carbonitrile
SMILESN#Cc1ccc(N)c2cc(C=O)sc12
InChIInChI=1S/C10H6N2OS/c11-4-6-1-2-9(12)8-3-7(5-13)14-10(6)8/h1-3,5H,12H2
InChIKeyJZFMLRWCWZEKMN-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.17
Rot. Bonds1

About 4-amino-2-formyl-1-benzothiophene-7-carbonitrile

4-amino-2-formyl-1-benzothiophene-7-carbonitrile (PubChem CID 130803481) has the molecular formula C10H6N2OS and a molecular weight of 202.24 g/mol. Its IUPAC name is 4-amino-2-formyl-1-benzothiophene-7-carbonitrile.

Molecular Properties

Compound Name4-amino-2-formyl-1-benzothiophene-7-carbonitrile
PubChem CID130803481
Molecular FormulaC10H6N2OS
Molecular Weight202.24 g/mol
Exact Mass202.02
IUPAC Name4-amino-2-formyl-1-benzothiophene-7-carbonitrile
SMILESN#Cc1ccc(N)c2cc(C=O)sc12
InChIInChI=1S/C10H6N2OS/c11-4-6-1-2-9(12)8-3-7(5-13)14-10(6)8/h1-3,5H,12H2
InChIKeyJZFMLRWCWZEKMN-UHFFFAOYSA-N
XLogP2.17
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-2-formyl-1-benzothiophene-7-carbonitrile 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-amino-2-sulfanyl-1-benzothiophene-7-carbonitrile
CID 131033923
2-formyl-1-benzothiophene-7-carbonitrile
CID 118056504
7-fluoro-2-formyl-1-benzothiophene-6-carbonitrile
CID 130926562
4-bromo-2-formyl-1-benzothiophene-5-carbonitrile
CID 130961033
2-amino-5-formylbenzonitrile
CID 15067194
5-amino-4-methyl-1-benzothiophene-2-carbaldehyde
CID 130956428
6-aminopyrene-1-carbonitrile
CID 23131487
3-formyl-2-iodo-1-benzothiophene-7-carbonitrile
CID 130866004
6-amino-7-(bromomethyl)-1-benzothiophene-2-carbaldehyde
CID 131098336
4-amino-7-iodo-1-benzothiophene-2-carbonitrile
CID 131080405
4-amino-7-methoxynaphthalene-1-carbonitrile
CID 131535319
3-amino-1-benzothiophene-4,7-dicarbonitrile
CID 130817005

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-formyl-1-benzothiophene-7-carbonitrile?
The IUPAC name of 4-amino-2-formyl-1-benzothiophene-7-carbonitrile (CID 130803481) is 4-amino-2-formyl-1-benzothiophene-7-carbonitrile.
What is the SMILES notation for 4-amino-2-formyl-1-benzothiophene-7-carbonitrile?
The canonical SMILES for 4-amino-2-formyl-1-benzothiophene-7-carbonitrile is N#Cc1ccc(N)c2cc(C=O)sc12.
What is the InChIKey of 4-amino-2-formyl-1-benzothiophene-7-carbonitrile?
The InChIKey is JZFMLRWCWZEKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2OS/c11-4-6-1-2-9(12)8-3-7(5-13)14-10(6)8/h1-3,5H,12H2.
What are the key properties of 4-amino-2-formyl-1-benzothiophene-7-carbonitrile?
4-amino-2-formyl-1-benzothiophene-7-carbonitrile has a molecular weight of 202.24 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-formyl-1-benzothiophene-7-carbonitrile is sourced from PubChem (CID 130803481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).