7-amino-3-ethyl-1-benzothiophene-2-carbonitrile

C11H10N2S — CID 130792126

IUPAC7-amino-3-ethyl-1-benzothiophene-2-carbonitrile
SMILESCCc1c(C#N)sc2c(N)cccc12
InChIInChI=1S/C11H10N2S/c1-2-7-8-4-3-5-9(13)11(8)14-10(7)6-12/h3-5H,2,13H2,1H3
InChIKeyBANITWDKKMHPBP-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.92
Rot. Bonds1

About 7-amino-3-ethyl-1-benzothiophene-2-carbonitrile

7-amino-3-ethyl-1-benzothiophene-2-carbonitrile (PubChem CID 130792126) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 7-amino-3-ethyl-1-benzothiophene-2-carbonitrile.

Molecular Properties

Compound Name7-amino-3-ethyl-1-benzothiophene-2-carbonitrile
PubChem CID130792126
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name7-amino-3-ethyl-1-benzothiophene-2-carbonitrile
SMILESCCc1c(C#N)sc2c(N)cccc12
InChIInChI=1S/C11H10N2S/c1-2-7-8-4-3-5-9(13)11(8)14-10(7)6-12/h3-5H,2,13H2,1H3
InChIKeyBANITWDKKMHPBP-UHFFFAOYSA-N
XLogP2.92
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-3-(hydroxymethyl)-1-benzothiophene-2-carbonitrile
CID 131002187
6-amino-3-ethyl-1-benzothiophene-2-carbonitrile
CID 130914383
3-(2-aminoethyl)-7-methoxy-1-benzothiophene-2-carbonitrile;hydrochloride
CID 135379879
3-amino-7-hydroxy-1-benzothiophene-2-carbonitrile
CID 83817935
3-amino-5-ethylthiophene-2-carbonitrile
CID 27281498
4-amino-3-methoxy-1-benzothiophene-2-carbonitrile
CID 130961149
3-amino-2-ethylbenzaldehyde
CID 22259616
7-hydroxy-3-sulfanyl-1-benzothiophene-2-carbonitrile
CID 131169600
3-amino-1-benzothiophene-2-carbonitrile
CID 821951
3-amino-5-(3-chlorothiophen-2-yl)-4-ethylthiophene-2-carbonitrile
CID 80642157
7-bromo-2-methyl-1-benzothiophene-3-carbonitrile
CID 130792711
3-ethyl-2-fluoro-1-benzothiophene-7-thiol
CID 131014424

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-ethyl-1-benzothiophene-2-carbonitrile?
The IUPAC name of 7-amino-3-ethyl-1-benzothiophene-2-carbonitrile (CID 130792126) is 7-amino-3-ethyl-1-benzothiophene-2-carbonitrile.
What is the SMILES notation for 7-amino-3-ethyl-1-benzothiophene-2-carbonitrile?
The canonical SMILES for 7-amino-3-ethyl-1-benzothiophene-2-carbonitrile is CCc1c(C#N)sc2c(N)cccc12.
What is the InChIKey of 7-amino-3-ethyl-1-benzothiophene-2-carbonitrile?
The InChIKey is BANITWDKKMHPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-2-7-8-4-3-5-9(13)11(8)14-10(7)6-12/h3-5H,2,13H2,1H3.
What are the key properties of 7-amino-3-ethyl-1-benzothiophene-2-carbonitrile?
7-amino-3-ethyl-1-benzothiophene-2-carbonitrile has a molecular weight of 202.28 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-ethyl-1-benzothiophene-2-carbonitrile is sourced from PubChem (CID 130792126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).