3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile

C13H9FN4S — CID 103425980

IUPAC3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(NCc2ccc(F)cc2)c(C#N)c1N
InChIInChI=1S/C13H9FN4S/c14-9-3-1-8(2-4-9)7-18-13-10(5-15)12(17)11(6-16)19-13/h1-4,18H,7,17H2
InChIKeyCZXMSEHBJXLMKC-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.82
Rot. Bonds3

About 3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile

3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile (PubChem CID 103425980) has the molecular formula C13H9FN4S and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile
PubChem CID103425980
Molecular FormulaC13H9FN4S
Molecular Weight272.31 g/mol
Exact Mass272.05
IUPAC Name3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile
SMILESN#Cc1sc(NCc2ccc(F)cc2)c(C#N)c1N
InChIInChI=1S/C13H9FN4S/c14-9-3-1-8(2-4-9)7-18-13-10(5-15)12(17)11(6-16)19-13/h1-4,18H,7,17H2
InChIKeyCZXMSEHBJXLMKC-UHFFFAOYSA-N
XLogP2.82
TPSA85.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-5-[(4-fluorophenyl)methylamino]-4-propan-2-yloxythiophene-2-carbonitrile
CID 103425991
3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile
CID 103431171
5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile
CID 103426327
3-amino-5-(4-phenylbutan-2-ylamino)thiophene-2,4-dicarbonitrile
CID 103508812
3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile
CID 103423501
3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile
CID 103426993
3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103424930
4-[(4-fluorophenyl)methylamino]benzonitrile
CID 22353725
3-amino-4-[(4-fluorophenyl)methylamino]benzonitrile
CID 43518027
4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile
CID 103426681
3-amino-4-methoxy-5-[(3-methylphenyl)methylamino]thiophene-2-carbonitrile
CID 103432129
3-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-2,4-dicarbonitrile
CID 106044905

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile (CID 103425980) is 3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile is N#Cc1sc(NCc2ccc(F)cc2)c(C#N)c1N.
What is the InChIKey of 3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile?
The InChIKey is CZXMSEHBJXLMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4S/c14-9-3-1-8(2-4-9)7-18-13-10(5-15)12(17)11(6-16)19-13/h1-4,18H,7,17H2.
What are the key properties of 3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile?
3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile has a molecular weight of 272.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(4-fluorophenyl)methylamino]thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 103425980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).