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

C11H10N2S — CID 130914383

IUPAC6-amino-3-ethyl-1-benzothiophene-2-carbonitrile
SMILESCCc1c(C#N)sc2cc(N)ccc12
InChIInChI=1S/C11H10N2S/c1-2-8-9-4-3-7(13)5-10(9)14-11(8)6-12/h3-5H,2,13H2,1H3
InChIKeyATCVGQZNPLFBBL-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.92
Rot. Bonds1

About 6-amino-3-ethyl-1-benzothiophene-2-carbonitrile

6-amino-3-ethyl-1-benzothiophene-2-carbonitrile (PubChem CID 130914383) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 6-amino-3-ethyl-1-benzothiophene-2-carbonitrile.

Molecular Properties

Compound Name6-amino-3-ethyl-1-benzothiophene-2-carbonitrile
PubChem CID130914383
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name6-amino-3-ethyl-1-benzothiophene-2-carbonitrile
SMILESCCc1c(C#N)sc2cc(N)ccc12
InChIInChI=1S/C11H10N2S/c1-2-8-9-4-3-7(13)5-10(9)14-11(8)6-12/h3-5H,2,13H2,1H3
InChIKeyATCVGQZNPLFBBL-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

6-amino-3-(bromomethyl)-1-benzothiophene-2-carbonitrile
CID 130941960
6-amino-3-hydroxy-1-benzothiophene-2-carbonitrile
CID 131138174
7-amino-3-ethyl-1-benzothiophene-2-carbonitrile
CID 130792126
2-(6-amino-2-bromo-1-benzothiophen-3-yl)acetonitrile
CID 131033952
3-amino-6-methyl-1-benzothiophene-2-carbonitrile
CID 130969369
dibenzothiophene-2,3,7-triamine
CID 166974357
2,3-diethyl-1-benzothiophen-6-ol
CID 131191073
3-amino-5-ethylthiophene-2-carbonitrile
CID 27281498
2-ethoxy-3-iodo-1-benzothiophen-6-amine
CID 131031203
5-amino-2-methyl-1-benzothiophene-3-carbonitrile
CID 130954888
2-(bromomethyl)-1-benzothiophene-3,6-diamine
CID 131030880
ethyl 7-aminodibenzothiophene-3-carboxylate
CID 13065121

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-ethyl-1-benzothiophene-2-carbonitrile?
The IUPAC name of 6-amino-3-ethyl-1-benzothiophene-2-carbonitrile (CID 130914383) is 6-amino-3-ethyl-1-benzothiophene-2-carbonitrile.
What is the SMILES notation for 6-amino-3-ethyl-1-benzothiophene-2-carbonitrile?
The canonical SMILES for 6-amino-3-ethyl-1-benzothiophene-2-carbonitrile is CCc1c(C#N)sc2cc(N)ccc12.
What is the InChIKey of 6-amino-3-ethyl-1-benzothiophene-2-carbonitrile?
The InChIKey is ATCVGQZNPLFBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-2-8-9-4-3-7(13)5-10(9)14-11(8)6-12/h3-5H,2,13H2,1H3.
What are the key properties of 6-amino-3-ethyl-1-benzothiophene-2-carbonitrile?
6-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 6-amino-3-ethyl-1-benzothiophene-2-carbonitrile is sourced from PubChem (CID 130914383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).