5-amino-2-N-(4-cyanophenyl)-3-methylthiophene-2,4-dicarboxamide

C14H12N4O2S — CID 138490338

IUPAC5-amino-2-N-(4-cyanophenyl)-3-methylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccc(C#N)cc2)sc(N)c1C(N)=O
InChIInChI=1S/C14H12N4O2S/c1-7-10(12(16)19)13(17)21-11(7)14(20)18-9-4-2-8(6-15)3-5-9/h2-5H,17H2,1H3,(H2,16,19)(H,18,20)
InChIKeyMKGQNBGMBYGSCH-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.86
Rot. Bonds3

About 5-amino-2-N-(4-cyanophenyl)-3-methylthiophene-2,4-dicarboxamide

5-amino-2-N-(4-cyanophenyl)-3-methylthiophene-2,4-dicarboxamide (PubChem CID 138490338) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-amino-2-N-(4-cyanophenyl)-3-methylthiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-2-N-(4-cyanophenyl)-3-methylthiophene-2,4-dicarboxamide
PubChem CID138490338
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name5-amino-2-N-(4-cyanophenyl)-3-methylthiophene-2,4-dicarboxamide
SMILESCc1c(C(=O)Nc2ccc(C#N)cc2)sc(N)c1C(N)=O
InChIInChI=1S/C14H12N4O2S/c1-7-10(12(16)19)13(17)21-11(7)14(20)18-9-4-2-8(6-15)3-5-9/h2-5H,17H2,1H3,(H2,16,19)(H,18,20)
InChIKeyMKGQNBGMBYGSCH-UHFFFAOYSA-N
XLogP1.86
TPSA122.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

Analyze 5-amino-2-N-(4-cyanophenyl)-3-methylthiophene-2,4-dicarboxamide 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 5-amino-2-N-(4-cyanophenyl)-3-methylthiophene-2,4-dicarboxamide?
The IUPAC name of 5-amino-2-N-(4-cyanophenyl)-3-methylthiophene-2,4-dicarboxamide (CID 138490338) is 5-amino-2-N-(4-cyanophenyl)-3-methylthiophene-2,4-dicarboxamide.
What is the SMILES notation for 5-amino-2-N-(4-cyanophenyl)-3-methylthiophene-2,4-dicarboxamide?
The canonical SMILES for 5-amino-2-N-(4-cyanophenyl)-3-methylthiophene-2,4-dicarboxamide is Cc1c(C(=O)Nc2ccc(C#N)cc2)sc(N)c1C(N)=O.
What is the InChIKey of 5-amino-2-N-(4-cyanophenyl)-3-methylthiophene-2,4-dicarboxamide?
The InChIKey is MKGQNBGMBYGSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-7-10(12(16)19)13(17)21-11(7)14(20)18-9-4-2-8(6-15)3-5-9/h2-5H,17H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of 5-amino-2-N-(4-cyanophenyl)-3-methylthiophene-2,4-dicarboxamide?
5-amino-2-N-(4-cyanophenyl)-3-methylthiophene-2,4-dicarboxamide has a molecular weight of 300.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-N-(4-cyanophenyl)-3-methylthiophene-2,4-dicarboxamide is sourced from PubChem (CID 138490338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).