2-amino-4-oxo-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile

C9H8N2OS — CID 119085482

IUPAC2-amino-4-oxo-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile
SMILESN#Cc1c(N)sc2c1C(=O)CCC2
InChIInChI=1S/C9H8N2OS/c10-4-5-8-6(12)2-1-3-7(8)13-9(5)11/h1-3,11H2
InChIKeyFRETVOCZLJWTRW-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.72
Rot. Bonds

About 2-amino-4-oxo-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile

2-amino-4-oxo-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile (PubChem CID 119085482) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-amino-4-oxo-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-oxo-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile
PubChem CID119085482
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name2-amino-4-oxo-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile
SMILESN#Cc1c(N)sc2c1C(=O)CCC2
InChIInChI=1S/C9H8N2OS/c10-4-5-8-6(12)2-1-3-7(8)13-9(5)11/h1-3,11H2
InChIKeyFRETVOCZLJWTRW-UHFFFAOYSA-N
XLogP1.72
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 290223
1-(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)ethan-1-one
CID 12394684
5-Acetyl-2-amino-4-methylthiophene-3-carbonitrile
CID 675983
4-(2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)benzonitrile
CID 10858964
2-Amino-4,5,6,7-tetrahydro-5,5-dimethyl-7-oxobenzo[b]thiophene-3-carbonitrile
CID 4147664
2-Amino-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 13667340
1-(2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanone
CID 65355034
1-(2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)ethanone
CID 65355035
3-Cyano-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 2741350
2-amino-7-oxo-5-phenyl-5,6-dihydro-4H-1-benzothiophene-3-carbonitrile
CID 13667341
5-Acetyl-2-amino-4-phenylthiophene-3-carbonitrile
CID 14222609
1-(2-Amino-4-methyl-5-pentylthiophen-3-yl)ethanone
CID 65354827

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-oxo-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile (CID 119085482) is 2-amino-4-oxo-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-oxo-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-oxo-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile is N#Cc1c(N)sc2c1C(=O)CCC2.
What is the InChIKey of 2-amino-4-oxo-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile?
The InChIKey is FRETVOCZLJWTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-4-5-8-6(12)2-1-3-7(8)13-9(5)11/h1-3,11H2.
What are the key properties of 2-amino-4-oxo-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile?
2-amino-4-oxo-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile has a molecular weight of 192.24 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxo-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile is sourced from PubChem (CID 119085482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).