5-[(Z)-2-cyano-1-imidazol-1-ylethenyl]thiophene-2-carbonitrile

C11H6N4S — CID 19004187

IUPAC5-[(Z)-2-cyano-1-imidazol-1-ylethenyl]thiophene-2-carbonitrile
SMILESN#C/C=C(/c1ccc(C#N)s1)n1ccnc1
InChIInChI=1S/C11H6N4S/c12-4-3-10(15-6-5-14-8-15)11-2-1-9(7-13)16-11/h1-3,5-6,8H/b10-3-
InChIKeyGZFKWJDIYSYBAI-KMKOMSMNSA-N
MW226.26 g/mol
LogP2.23
Rot. Bonds2

About 5-[(Z)-2-cyano-1-imidazol-1-ylethenyl]thiophene-2-carbonitrile

5-[(Z)-2-cyano-1-imidazol-1-ylethenyl]thiophene-2-carbonitrile (PubChem CID 19004187) has the molecular formula C11H6N4S and a molecular weight of 226.26 g/mol. Its IUPAC name is 5-[(Z)-2-cyano-1-imidazol-1-ylethenyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(Z)-2-cyano-1-imidazol-1-ylethenyl]thiophene-2-carbonitrile
PubChem CID19004187
Molecular FormulaC11H6N4S
Molecular Weight226.26 g/mol
Exact Mass226.03
IUPAC Name5-[(Z)-2-cyano-1-imidazol-1-ylethenyl]thiophene-2-carbonitrile
SMILESN#C/C=C(/c1ccc(C#N)s1)n1ccnc1
InChIInChI=1S/C11H6N4S/c12-4-3-10(15-6-5-14-8-15)11-2-1-9(7-13)16-11/h1-3,5-6,8H/b10-3-
InChIKeyGZFKWJDIYSYBAI-KMKOMSMNSA-N
XLogP2.23
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-cyano-1-imidazol-1-ylethenyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(Z)-2-cyano-1-imidazol-1-ylethenyl]thiophene-2-carbonitrile (CID 19004187) is 5-[(Z)-2-cyano-1-imidazol-1-ylethenyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(Z)-2-cyano-1-imidazol-1-ylethenyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(Z)-2-cyano-1-imidazol-1-ylethenyl]thiophene-2-carbonitrile is N#C/C=C(/c1ccc(C#N)s1)n1ccnc1.
What is the InChIKey of 5-[(Z)-2-cyano-1-imidazol-1-ylethenyl]thiophene-2-carbonitrile?
The InChIKey is GZFKWJDIYSYBAI-KMKOMSMNSA-N. The full InChI is InChI=1S/C11H6N4S/c12-4-3-10(15-6-5-14-8-15)11-2-1-9(7-13)16-11/h1-3,5-6,8H/b10-3-.
What are the key properties of 5-[(Z)-2-cyano-1-imidazol-1-ylethenyl]thiophene-2-carbonitrile?
5-[(Z)-2-cyano-1-imidazol-1-ylethenyl]thiophene-2-carbonitrile has a molecular weight of 226.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-cyano-1-imidazol-1-ylethenyl]thiophene-2-carbonitrile is sourced from PubChem (CID 19004187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).