2-amino-6-methyl-1-benzothiophene-4-carbonitrile

C10H8N2S — CID 131091561

IUPAC2-amino-6-methyl-1-benzothiophene-4-carbonitrile
SMILESCc1cc(C#N)c2cc(N)sc2c1
InChIInChI=1S/C10H8N2S/c1-6-2-7(5-11)8-4-10(12)13-9(8)3-6/h2-4H,12H2,1H3
InChIKeyUGAHULDVRWIIKX-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.66
Rot. Bonds

About 2-amino-6-methyl-1-benzothiophene-4-carbonitrile

2-amino-6-methyl-1-benzothiophene-4-carbonitrile (PubChem CID 131091561) has the molecular formula C10H8N2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-amino-6-methyl-1-benzothiophene-4-carbonitrile.

Molecular Properties

Compound Name2-amino-6-methyl-1-benzothiophene-4-carbonitrile
PubChem CID131091561
Molecular FormulaC10H8N2S
Molecular Weight188.25 g/mol
Exact Mass188.04
IUPAC Name2-amino-6-methyl-1-benzothiophene-4-carbonitrile
SMILESCc1cc(C#N)c2cc(N)sc2c1
InChIInChI=1S/C10H8N2S/c1-6-2-7(5-11)8-4-10(12)13-9(8)3-6/h2-4H,12H2,1H3
InChIKeyUGAHULDVRWIIKX-UHFFFAOYSA-N
XLogP2.66
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-1-benzothiophene-4-carbonitrile?
The IUPAC name of 2-amino-6-methyl-1-benzothiophene-4-carbonitrile (CID 131091561) is 2-amino-6-methyl-1-benzothiophene-4-carbonitrile.
What is the SMILES notation for 2-amino-6-methyl-1-benzothiophene-4-carbonitrile?
The canonical SMILES for 2-amino-6-methyl-1-benzothiophene-4-carbonitrile is Cc1cc(C#N)c2cc(N)sc2c1.
What is the InChIKey of 2-amino-6-methyl-1-benzothiophene-4-carbonitrile?
The InChIKey is UGAHULDVRWIIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S/c1-6-2-7(5-11)8-4-10(12)13-9(8)3-6/h2-4H,12H2,1H3.
What are the key properties of 2-amino-6-methyl-1-benzothiophene-4-carbonitrile?
2-amino-6-methyl-1-benzothiophene-4-carbonitrile has a molecular weight of 188.25 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-1-benzothiophene-4-carbonitrile is sourced from PubChem (CID 131091561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).