2-amino-5-butyl-4-propylthiophene-3-carbonitrile

C12H18N2S — CID 146285739

IUPAC2-amino-5-butyl-4-propylthiophene-3-carbonitrile
SMILESCCCCc1sc(N)c(C#N)c1CCC
InChIInChI=1S/C12H18N2S/c1-3-5-7-11-9(6-4-2)10(8-13)12(14)15-11/h3-7,14H2,1-2H3
InChIKeyTWGGPTSWKKTWAV-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.50
Rot. Bonds5

About 2-amino-5-butyl-4-propylthiophene-3-carbonitrile

2-amino-5-butyl-4-propylthiophene-3-carbonitrile (PubChem CID 146285739) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 2-amino-5-butyl-4-propylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-butyl-4-propylthiophene-3-carbonitrile
PubChem CID146285739
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name2-amino-5-butyl-4-propylthiophene-3-carbonitrile
SMILESCCCCc1sc(N)c(C#N)c1CCC
InChIInChI=1S/C12H18N2S/c1-3-5-7-11-9(6-4-2)10(8-13)12(14)15-11/h3-7,14H2,1-2H3
InChIKeyTWGGPTSWKKTWAV-UHFFFAOYSA-N
XLogP3.50
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-butyl-4-propylthiophene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-butyl-4-propylthiophene-3-carbonitrile?
The IUPAC name of 2-amino-5-butyl-4-propylthiophene-3-carbonitrile (CID 146285739) is 2-amino-5-butyl-4-propylthiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-5-butyl-4-propylthiophene-3-carbonitrile?
The canonical SMILES for 2-amino-5-butyl-4-propylthiophene-3-carbonitrile is CCCCc1sc(N)c(C#N)c1CCC.
What is the InChIKey of 2-amino-5-butyl-4-propylthiophene-3-carbonitrile?
The InChIKey is TWGGPTSWKKTWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-3-5-7-11-9(6-4-2)10(8-13)12(14)15-11/h3-7,14H2,1-2H3.
What are the key properties of 2-amino-5-butyl-4-propylthiophene-3-carbonitrile?
2-amino-5-butyl-4-propylthiophene-3-carbonitrile has a molecular weight of 222.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-butyl-4-propylthiophene-3-carbonitrile is sourced from PubChem (CID 146285739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).