2-amino-2-(4-ethylthiophen-2-yl)acetonitrile

C8H10N2S — CID 131504622

IUPAC2-amino-2-(4-ethylthiophen-2-yl)acetonitrile
SMILESCCc1csc(C(N)C#N)c1
InChIInChI=1S/C8H10N2S/c1-2-6-3-8(11-5-6)7(10)4-9/h3,5,7H,2,10H2,1H3
InChIKeyXVJONOLTODDISU-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.83
Rot. Bonds2

About 2-amino-2-(4-ethylthiophen-2-yl)acetonitrile

2-amino-2-(4-ethylthiophen-2-yl)acetonitrile (PubChem CID 131504622) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 2-amino-2-(4-ethylthiophen-2-yl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(4-ethylthiophen-2-yl)acetonitrile
PubChem CID131504622
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name2-amino-2-(4-ethylthiophen-2-yl)acetonitrile
SMILESCCc1csc(C(N)C#N)c1
InChIInChI=1S/C8H10N2S/c1-2-6-3-8(11-5-6)7(10)4-9/h3,5,7H,2,10H2,1H3
InChIKeyXVJONOLTODDISU-UHFFFAOYSA-N
XLogP1.83
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-ethylthiophen-2-yl)acetonitrile?
The IUPAC name of 2-amino-2-(4-ethylthiophen-2-yl)acetonitrile (CID 131504622) is 2-amino-2-(4-ethylthiophen-2-yl)acetonitrile.
What is the SMILES notation for 2-amino-2-(4-ethylthiophen-2-yl)acetonitrile?
The canonical SMILES for 2-amino-2-(4-ethylthiophen-2-yl)acetonitrile is CCc1csc(C(N)C#N)c1.
What is the InChIKey of 2-amino-2-(4-ethylthiophen-2-yl)acetonitrile?
The InChIKey is XVJONOLTODDISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-2-6-3-8(11-5-6)7(10)4-9/h3,5,7H,2,10H2,1H3.
What are the key properties of 2-amino-2-(4-ethylthiophen-2-yl)acetonitrile?
2-amino-2-(4-ethylthiophen-2-yl)acetonitrile has a molecular weight of 166.25 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-ethylthiophen-2-yl)acetonitrile is sourced from PubChem (CID 131504622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).