3-amino-5-(4-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile

C15H9FN2S2 — CID 62501226

IUPAC3-amino-5-(4-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile
SMILESN#Cc1sc(-c2ccc(F)cc2)c(-c2cccs2)c1N
InChIInChI=1S/C15H9FN2S2/c16-10-5-3-9(4-6-10)15-13(11-2-1-7-19-11)14(18)12(8-17)20-15/h1-7H,18H2
InChIKeyOKBHGFGCNVUOFM-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.74
Rot. Bonds2

About 3-amino-5-(4-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile

3-amino-5-(4-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile (PubChem CID 62501226) has the molecular formula C15H9FN2S2 and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-amino-5-(4-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(4-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile
PubChem CID62501226
Molecular FormulaC15H9FN2S2
Molecular Weight300.38 g/mol
Exact Mass300.02
IUPAC Name3-amino-5-(4-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile
SMILESN#Cc1sc(-c2ccc(F)cc2)c(-c2cccs2)c1N
InChIInChI=1S/C15H9FN2S2/c16-10-5-3-9(4-6-10)15-13(11-2-1-7-19-11)14(18)12(8-17)20-15/h1-7H,18H2
InChIKeyOKBHGFGCNVUOFM-UHFFFAOYSA-N
XLogP4.74
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-(4-fluorophenyl)-4-thiophen-2-ylthiophene-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 3-amino-5-(4-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(4-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile (CID 62501226) is 3-amino-5-(4-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(4-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(4-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile is N#Cc1sc(-c2ccc(F)cc2)c(-c2cccs2)c1N.
What is the InChIKey of 3-amino-5-(4-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile?
The InChIKey is OKBHGFGCNVUOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2S2/c16-10-5-3-9(4-6-10)15-13(11-2-1-7-19-11)14(18)12(8-17)20-15/h1-7H,18H2.
What are the key properties of 3-amino-5-(4-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile?
3-amino-5-(4-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile has a molecular weight of 300.38 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile is sourced from PubChem (CID 62501226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).