2-amino-1-benzothiophene-6-carbonitrile

C9H6N2S — CID 46908319

IUPAC2-amino-1-benzothiophene-6-carbonitrile
SMILESN#Cc1ccc2cc(N)sc2c1
InChIInChI=1S/C9H6N2S/c10-5-6-1-2-7-4-9(11)12-8(7)3-6/h1-4H,11H2
InChIKeyNIYZJLLEAVLMBH-UHFFFAOYSA-N
MW174.23 g/mol
LogP2.36
Rot. Bonds

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

2-amino-1-benzothiophene-6-carbonitrile (PubChem CID 46908319) has the molecular formula C9H6N2S and a molecular weight of 174.23 g/mol. Its IUPAC name is 2-amino-1-benzothiophene-6-carbonitrile.

Molecular Properties

Compound Name2-amino-1-benzothiophene-6-carbonitrile
PubChem CID46908319
Molecular FormulaC9H6N2S
Molecular Weight174.23 g/mol
Exact Mass174.03
IUPAC Name2-amino-1-benzothiophene-6-carbonitrile
SMILESN#Cc1ccc2cc(N)sc2c1
InChIInChI=1S/C9H6N2S/c10-5-6-1-2-7-4-9(11)12-8(7)3-6/h1-4H,11H2
InChIKeyNIYZJLLEAVLMBH-UHFFFAOYSA-N
XLogP2.36
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethenyl-1-benzothiophene-6-carbonitrile
CID 67876465
6-fluoro-1-benzothiophen-2-amine
CID 82597319
2,5-diamino-1-benzothiophene-6-carbonitrile
CID 130839073
2-amino-3-fluoro-1-benzothiophene-6-carbonitrile
CID 130883104
1,2-benzothiazole-6-carbonitrile
CID 69163321
anthracene-2,6-dicarbonitrile
CID 89012264
2-[7-(6-cyano-1-benzothiophen-2-yl)-10-thia-4,5-diazatricyclo[6.3.0.03,6]undeca-1(11),2,6,8-tetraen-2-yl]-1-benzothiophene-6-carbonitrile
CID 142406973
[1]benzothiolo[6,5-f][1]benzothiol-7-amine
CID 129178000
7-fluorodibenzothiophene-3-carbonitrile
CID 50993107
2,3-dichloro-1-benzothiophene-6-carbonitrile
CID 130839787
1-benzothiophene-2,5-diamine
CID 89101949
2-(trifluoromethyl)-1,3-benzothiazole-6-carbonitrile
CID 91882986

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-benzothiophene-6-carbonitrile?
The IUPAC name of 2-amino-1-benzothiophene-6-carbonitrile (CID 46908319) is 2-amino-1-benzothiophene-6-carbonitrile.
What is the SMILES notation for 2-amino-1-benzothiophene-6-carbonitrile?
The canonical SMILES for 2-amino-1-benzothiophene-6-carbonitrile is N#Cc1ccc2cc(N)sc2c1.
What is the InChIKey of 2-amino-1-benzothiophene-6-carbonitrile?
The InChIKey is NIYZJLLEAVLMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2S/c10-5-6-1-2-7-4-9(11)12-8(7)3-6/h1-4H,11H2.
What are the key properties of 2-amino-1-benzothiophene-6-carbonitrile?
2-amino-1-benzothiophene-6-carbonitrile has a molecular weight of 174.23 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-benzothiophene-6-carbonitrile is sourced from PubChem (CID 46908319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).