2-(ethylamino)-4,5-dimethylthiophene-3-carbonitrile

C9H12N2S — CID 57456916

IUPAC2-(ethylamino)-4,5-dimethylthiophene-3-carbonitrile
SMILESCCNc1sc(C)c(C)c1C#N
InChIInChI=1S/C9H12N2S/c1-4-11-9-8(5-10)6(2)7(3)12-9/h11H,4H2,1-3H3
InChIKeyGXUFHKFGMOUAMA-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.67
Rot. Bonds2

About 2-(ethylamino)-4,5-dimethylthiophene-3-carbonitrile

2-(ethylamino)-4,5-dimethylthiophene-3-carbonitrile (PubChem CID 57456916) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 2-(ethylamino)-4,5-dimethylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-(ethylamino)-4,5-dimethylthiophene-3-carbonitrile
PubChem CID57456916
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name2-(ethylamino)-4,5-dimethylthiophene-3-carbonitrile
SMILESCCNc1sc(C)c(C)c1C#N
InChIInChI=1S/C9H12N2S/c1-4-11-9-8(5-10)6(2)7(3)12-9/h11H,4H2,1-3H3
InChIKeyGXUFHKFGMOUAMA-UHFFFAOYSA-N
XLogP2.67
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4,5-dimethylthiophene-3-carbonitrile?
The IUPAC name of 2-(ethylamino)-4,5-dimethylthiophene-3-carbonitrile (CID 57456916) is 2-(ethylamino)-4,5-dimethylthiophene-3-carbonitrile.
What is the SMILES notation for 2-(ethylamino)-4,5-dimethylthiophene-3-carbonitrile?
The canonical SMILES for 2-(ethylamino)-4,5-dimethylthiophene-3-carbonitrile is CCNc1sc(C)c(C)c1C#N.
What is the InChIKey of 2-(ethylamino)-4,5-dimethylthiophene-3-carbonitrile?
The InChIKey is GXUFHKFGMOUAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-4-11-9-8(5-10)6(2)7(3)12-9/h11H,4H2,1-3H3.
What are the key properties of 2-(ethylamino)-4,5-dimethylthiophene-3-carbonitrile?
2-(ethylamino)-4,5-dimethylthiophene-3-carbonitrile has a molecular weight of 180.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4,5-dimethylthiophene-3-carbonitrile is sourced from PubChem (CID 57456916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).