2-amino-5-butylthiophene-3-carbonitrile

C9H12N2S — CID 43367138

IUPAC2-amino-5-butylthiophene-3-carbonitrile
SMILESCCCCc1cc(C#N)c(N)s1
InChIInChI=1S/C9H12N2S/c1-2-3-4-8-5-7(6-10)9(11)12-8/h5H,2-4,11H2,1H3
InChIKeyDZFKPGAPDQDOEW-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.54
Rot. Bonds3

About 2-amino-5-butylthiophene-3-carbonitrile

2-amino-5-butylthiophene-3-carbonitrile (PubChem CID 43367138) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 2-amino-5-butylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-butylthiophene-3-carbonitrile
PubChem CID43367138
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name2-amino-5-butylthiophene-3-carbonitrile
SMILESCCCCc1cc(C#N)c(N)s1
InChIInChI=1S/C9H12N2S/c1-2-3-4-8-5-7(6-10)9(11)12-8/h5H,2-4,11H2,1H3
InChIKeyDZFKPGAPDQDOEW-UHFFFAOYSA-N
XLogP2.54
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-butylthiophene-3-carbonitrile?
The IUPAC name of 2-amino-5-butylthiophene-3-carbonitrile (CID 43367138) is 2-amino-5-butylthiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-5-butylthiophene-3-carbonitrile?
The canonical SMILES for 2-amino-5-butylthiophene-3-carbonitrile is CCCCc1cc(C#N)c(N)s1.
What is the InChIKey of 2-amino-5-butylthiophene-3-carbonitrile?
The InChIKey is DZFKPGAPDQDOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-2-3-4-8-5-7(6-10)9(11)12-8/h5H,2-4,11H2,1H3.
What are the key properties of 2-amino-5-butylthiophene-3-carbonitrile?
2-amino-5-butylthiophene-3-carbonitrile has a molecular weight of 180.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-butylthiophene-3-carbonitrile is sourced from PubChem (CID 43367138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).