6-amino-2-methoxy-1-benzothiophene-5-carbonitrile

C10H8N2OS — CID 131033940

IUPAC6-amino-2-methoxy-1-benzothiophene-5-carbonitrile
SMILESCOc1cc2cc(C#N)c(N)cc2s1
InChIInChI=1S/C10H8N2OS/c1-13-10-3-6-2-7(5-11)8(12)4-9(6)14-10/h2-4H,12H2,1H3
InChIKeyBYELLWDRZGIUSF-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.36
Rot. Bonds1

About 6-amino-2-methoxy-1-benzothiophene-5-carbonitrile

6-amino-2-methoxy-1-benzothiophene-5-carbonitrile (PubChem CID 131033940) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 6-amino-2-methoxy-1-benzothiophene-5-carbonitrile.

Molecular Properties

Compound Name6-amino-2-methoxy-1-benzothiophene-5-carbonitrile
PubChem CID131033940
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name6-amino-2-methoxy-1-benzothiophene-5-carbonitrile
SMILESCOc1cc2cc(C#N)c(N)cc2s1
InChIInChI=1S/C10H8N2OS/c1-13-10-3-6-2-7(5-11)8(12)4-9(6)14-10/h2-4H,12H2,1H3
InChIKeyBYELLWDRZGIUSF-UHFFFAOYSA-N
XLogP2.36
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methoxy-1-benzothiophene-5-carbonitrile?
The IUPAC name of 6-amino-2-methoxy-1-benzothiophene-5-carbonitrile (CID 131033940) is 6-amino-2-methoxy-1-benzothiophene-5-carbonitrile.
What is the SMILES notation for 6-amino-2-methoxy-1-benzothiophene-5-carbonitrile?
The canonical SMILES for 6-amino-2-methoxy-1-benzothiophene-5-carbonitrile is COc1cc2cc(C#N)c(N)cc2s1.
What is the InChIKey of 6-amino-2-methoxy-1-benzothiophene-5-carbonitrile?
The InChIKey is BYELLWDRZGIUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c1-13-10-3-6-2-7(5-11)8(12)4-9(6)14-10/h2-4H,12H2,1H3.
What are the key properties of 6-amino-2-methoxy-1-benzothiophene-5-carbonitrile?
6-amino-2-methoxy-1-benzothiophene-5-carbonitrile has a molecular weight of 204.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methoxy-1-benzothiophene-5-carbonitrile is sourced from PubChem (CID 131033940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).