4-(aminomethyl)-3-methylthiophene-2-carbonitrile

C7H8N2S — CID 54301351

IUPAC4-(aminomethyl)-3-methylthiophene-2-carbonitrile
SMILESCc1c(CN)csc1C#N
InChIInChI=1S/C7H8N2S/c1-5-6(2-8)4-10-7(5)3-9/h4H,2,8H2,1H3
InChIKeySEKLOZLXKFRMGU-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.39
Rot. Bonds1

About 4-(aminomethyl)-3-methylthiophene-2-carbonitrile

4-(aminomethyl)-3-methylthiophene-2-carbonitrile (PubChem CID 54301351) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 4-(aminomethyl)-3-methylthiophene-2-carbonitrile.

Molecular Properties

Compound Name4-(aminomethyl)-3-methylthiophene-2-carbonitrile
PubChem CID54301351
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name4-(aminomethyl)-3-methylthiophene-2-carbonitrile
SMILESCc1c(CN)csc1C#N
InChIInChI=1S/C7H8N2S/c1-5-6(2-8)4-10-7(5)3-9/h4H,2,8H2,1H3
InChIKeySEKLOZLXKFRMGU-UHFFFAOYSA-N
XLogP1.39
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-3-methylthiophene-2-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 4-(aminomethyl)-3-methylthiophene-2-carbonitrile?
The IUPAC name of 4-(aminomethyl)-3-methylthiophene-2-carbonitrile (CID 54301351) is 4-(aminomethyl)-3-methylthiophene-2-carbonitrile.
What is the SMILES notation for 4-(aminomethyl)-3-methylthiophene-2-carbonitrile?
The canonical SMILES for 4-(aminomethyl)-3-methylthiophene-2-carbonitrile is Cc1c(CN)csc1C#N.
What is the InChIKey of 4-(aminomethyl)-3-methylthiophene-2-carbonitrile?
The InChIKey is SEKLOZLXKFRMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-5-6(2-8)4-10-7(5)3-9/h4H,2,8H2,1H3.
What are the key properties of 4-(aminomethyl)-3-methylthiophene-2-carbonitrile?
4-(aminomethyl)-3-methylthiophene-2-carbonitrile has a molecular weight of 152.22 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-methylthiophene-2-carbonitrile is sourced from PubChem (CID 54301351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).