5-[(Z)-1-amino-2-[amino(benzyl)amino]ethenyl]thiophene-2-carbonitrile

C14H14N4S — CID 145422898

IUPAC5-[(Z)-1-amino-2-[amino(benzyl)amino]ethenyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(/C(N)=C/N(N)Cc2ccccc2)s1
InChIInChI=1S/C14H14N4S/c15-8-12-6-7-14(19-12)13(16)10-18(17)9-11-4-2-1-3-5-11/h1-7,10H,9,16-17H2/b13-10-
InChIKeyXRRRYWKFSHVYSP-RAXLEYEMSA-N
MW270.36 g/mol
LogP2.25
Rot. Bonds4

About 5-[(Z)-1-amino-2-[amino(benzyl)amino]ethenyl]thiophene-2-carbonitrile

5-[(Z)-1-amino-2-[amino(benzyl)amino]ethenyl]thiophene-2-carbonitrile (PubChem CID 145422898) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-[(Z)-1-amino-2-[amino(benzyl)amino]ethenyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(Z)-1-amino-2-[amino(benzyl)amino]ethenyl]thiophene-2-carbonitrile
PubChem CID145422898
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name5-[(Z)-1-amino-2-[amino(benzyl)amino]ethenyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(/C(N)=C/N(N)Cc2ccccc2)s1
InChIInChI=1S/C14H14N4S/c15-8-12-6-7-14(19-12)13(16)10-18(17)9-11-4-2-1-3-5-11/h1-7,10H,9,16-17H2/b13-10-
InChIKeyXRRRYWKFSHVYSP-RAXLEYEMSA-N
XLogP2.25
TPSA79.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(Z)-1-amino-2-[amino(benzyl)amino]ethenyl]thiophene-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 5-[(Z)-1-amino-2-[amino(benzyl)amino]ethenyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(Z)-1-amino-2-[amino(benzyl)amino]ethenyl]thiophene-2-carbonitrile (CID 145422898) is 5-[(Z)-1-amino-2-[amino(benzyl)amino]ethenyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(Z)-1-amino-2-[amino(benzyl)amino]ethenyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(Z)-1-amino-2-[amino(benzyl)amino]ethenyl]thiophene-2-carbonitrile is N#Cc1ccc(/C(N)=C/N(N)Cc2ccccc2)s1.
What is the InChIKey of 5-[(Z)-1-amino-2-[amino(benzyl)amino]ethenyl]thiophene-2-carbonitrile?
The InChIKey is XRRRYWKFSHVYSP-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H14N4S/c15-8-12-6-7-14(19-12)13(16)10-18(17)9-11-4-2-1-3-5-11/h1-7,10H,9,16-17H2/b13-10-.
What are the key properties of 5-[(Z)-1-amino-2-[amino(benzyl)amino]ethenyl]thiophene-2-carbonitrile?
5-[(Z)-1-amino-2-[amino(benzyl)amino]ethenyl]thiophene-2-carbonitrile has a molecular weight of 270.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-amino-2-[amino(benzyl)amino]ethenyl]thiophene-2-carbonitrile is sourced from PubChem (CID 145422898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).