2-amino-4-ethyl-5-methylthiophene-3-carbonitrile

C8H10N2S — CID 4611800

IUPAC2-amino-4-ethyl-5-methylthiophene-3-carbonitrile
SMILESCCc1c(C)sc(N)c1C#N
InChIInChI=1S/C8H10N2S/c1-3-6-5(2)11-8(10)7(6)4-9/h3,10H2,1-2H3
InChIKeyQJJHYLODDMKXJT-UHFFFAOYSA-N
MW166.25 g/mol
LogP2.07
Rot. Bonds1

About 2-amino-4-ethyl-5-methylthiophene-3-carbonitrile

2-amino-4-ethyl-5-methylthiophene-3-carbonitrile (PubChem CID 4611800) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 2-amino-4-ethyl-5-methylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-ethyl-5-methylthiophene-3-carbonitrile
PubChem CID4611800
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name2-amino-4-ethyl-5-methylthiophene-3-carbonitrile
SMILESCCc1c(C)sc(N)c1C#N
InChIInChI=1S/C8H10N2S/c1-3-6-5(2)11-8(10)7(6)4-9/h3,10H2,1-2H3
InChIKeyQJJHYLODDMKXJT-UHFFFAOYSA-N
XLogP2.07
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-5-methylthiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-ethyl-5-methylthiophene-3-carbonitrile (CID 4611800) is 2-amino-4-ethyl-5-methylthiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-ethyl-5-methylthiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-ethyl-5-methylthiophene-3-carbonitrile is CCc1c(C)sc(N)c1C#N.
What is the InChIKey of 2-amino-4-ethyl-5-methylthiophene-3-carbonitrile?
The InChIKey is QJJHYLODDMKXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-3-6-5(2)11-8(10)7(6)4-9/h3,10H2,1-2H3.
What are the key properties of 2-amino-4-ethyl-5-methylthiophene-3-carbonitrile?
2-amino-4-ethyl-5-methylthiophene-3-carbonitrile has a molecular weight of 166.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-5-methylthiophene-3-carbonitrile is sourced from PubChem (CID 4611800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).