2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile

C15H16N2S — CID 672396

IUPAC2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile
SMILESCCCc1ccc(-c2c(C)sc(N)c2C#N)cc1
InChIInChI=1S/C15H16N2S/c1-3-4-11-5-7-12(8-6-11)14-10(2)18-15(17)13(14)9-16/h5-8H,3-4,17H2,1-2H3
InChIKeyRBANQTNMICYSAA-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.13
Rot. Bonds3

About 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile

2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile (PubChem CID 672396) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile
PubChem CID672396
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile
SMILESCCCc1ccc(-c2c(C)sc(N)c2C#N)cc1
InChIInChI=1S/C15H16N2S/c1-3-4-11-5-7-12(8-6-11)14-10(2)18-15(17)13(14)9-16/h5-8H,3-4,17H2,1-2H3
InChIKeyRBANQTNMICYSAA-UHFFFAOYSA-N
XLogP4.13
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-methyl-4-(4-propylphenyl)thiophene-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-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile?
The IUPAC name of 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile (CID 672396) is 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile?
The canonical SMILES for 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile is CCCc1ccc(-c2c(C)sc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile?
The InChIKey is RBANQTNMICYSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-3-4-11-5-7-12(8-6-11)14-10(2)18-15(17)13(14)9-16/h5-8H,3-4,17H2,1-2H3.
What are the key properties of 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile?
2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile has a molecular weight of 256.37 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carbonitrile is sourced from PubChem (CID 672396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).