4-amino-6-formyl-1-benzothiophene-5-carbonitrile

C10H6N2OS — CID 131098337

IUPAC4-amino-6-formyl-1-benzothiophene-5-carbonitrile
SMILESN#Cc1c(C=O)cc2sccc2c1N
InChIInChI=1S/C10H6N2OS/c11-4-8-6(5-13)3-9-7(10(8)12)1-2-14-9/h1-3,5H,12H2
InChIKeyARBABKDJDFPHDW-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.17
Rot. Bonds1

About 4-amino-6-formyl-1-benzothiophene-5-carbonitrile

4-amino-6-formyl-1-benzothiophene-5-carbonitrile (PubChem CID 131098337) has the molecular formula C10H6N2OS and a molecular weight of 202.24 g/mol. Its IUPAC name is 4-amino-6-formyl-1-benzothiophene-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-formyl-1-benzothiophene-5-carbonitrile
PubChem CID131098337
Molecular FormulaC10H6N2OS
Molecular Weight202.24 g/mol
Exact Mass202.02
IUPAC Name4-amino-6-formyl-1-benzothiophene-5-carbonitrile
SMILESN#Cc1c(C=O)cc2sccc2c1N
InChIInChI=1S/C10H6N2OS/c11-4-8-6(5-13)3-9-7(10(8)12)1-2-14-9/h1-3,5H,12H2
InChIKeyARBABKDJDFPHDW-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'}

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Related Compounds

5-amino-4-hydroxy-1-benzothiophene-6-carbaldehyde
CID 130788583
4-amino-6-(bromomethyl)-1-benzothiophene-5-carbonitrile
CID 131060039
6-amino-4-chloro-1-benzothiophene-5-carbonitrile
CID 130792174
6-amino-5-(chloromethyl)-1-benzothiophene-4-carbonitrile
CID 130961222
4-ethyl-5-methyl-1-benzothiophene-6-carbaldehyde
CID 130816876
4-bromo-6-chloro-1-benzothiophene-5-carbonitrile
CID 130885303
6-chloro-4-sulfanyl-1-benzothiophene-5-carbonitrile
CID 130870492
2-(4-amino-6-chloro-1-benzothiophen-5-yl)acetonitrile
CID 130866031
4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde
CID 130855197
7-amino-6-iodo-1-benzothiophene-4-carbaldehyde
CID 130956743
4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde
CID 131030928
7-amino-6-formyl-1-benzothiophene-3-carbonitrile
CID 131030799

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-formyl-1-benzothiophene-5-carbonitrile?
The IUPAC name of 4-amino-6-formyl-1-benzothiophene-5-carbonitrile (CID 131098337) is 4-amino-6-formyl-1-benzothiophene-5-carbonitrile.
What is the SMILES notation for 4-amino-6-formyl-1-benzothiophene-5-carbonitrile?
The canonical SMILES for 4-amino-6-formyl-1-benzothiophene-5-carbonitrile is N#Cc1c(C=O)cc2sccc2c1N.
What is the InChIKey of 4-amino-6-formyl-1-benzothiophene-5-carbonitrile?
The InChIKey is ARBABKDJDFPHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2OS/c11-4-8-6(5-13)3-9-7(10(8)12)1-2-14-9/h1-3,5H,12H2.
What are the key properties of 4-amino-6-formyl-1-benzothiophene-5-carbonitrile?
4-amino-6-formyl-1-benzothiophene-5-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-6-formyl-1-benzothiophene-5-carbonitrile is sourced from PubChem (CID 131098337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).