4-[2-[2-(4-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile

C17H18N4S — CID 52946045

IUPAC4-[2-[2-(4-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
SMILESCC1CCC(=NNc2nc(-c3ccc(C#N)cc3)cs2)CC1
InChIInChI=1S/C17H18N4S/c1-12-2-8-15(9-3-12)20-21-17-19-16(11-22-17)14-6-4-13(10-18)5-7-14/h4-7,11-12H,2-3,8-9H2,1H3,(H,19,21)/b20-15-
InChIKeyMIJORRJONMCVIG-HKWRFOASSA-N
MW310.43 g/mol
LogP4.66
Rot. Bonds3

About 4-[2-[2-(4-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile

4-[2-[2-(4-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile (PubChem CID 52946045) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 4-[2-[2-(4-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-[2-(4-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
PubChem CID52946045
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name4-[2-[2-(4-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
SMILESCC1CCC(=NNc2nc(-c3ccc(C#N)cc3)cs2)CC1
InChIInChI=1S/C17H18N4S/c1-12-2-8-15(9-3-12)20-21-17-19-16(11-22-17)14-6-4-13(10-18)5-7-14/h4-7,11-12H,2-3,8-9H2,1H3,(H,19,21)/b20-15-
InChIKeyMIJORRJONMCVIG-HKWRFOASSA-N
XLogP4.66
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[2-[2-(4-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile 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 4-[2-[2-(4-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-[2-(4-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile (CID 52946045) is 4-[2-[2-(4-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-[2-(4-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-[2-(4-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile is CC1CCC(=NNc2nc(-c3ccc(C#N)cc3)cs2)CC1.
What is the InChIKey of 4-[2-[2-(4-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is MIJORRJONMCVIG-HKWRFOASSA-N. The full InChI is InChI=1S/C17H18N4S/c1-12-2-8-15(9-3-12)20-21-17-19-16(11-22-17)14-6-4-13(10-18)5-7-14/h4-7,11-12H,2-3,8-9H2,1H3,(H,19,21)/b20-15-.
What are the key properties of 4-[2-[2-(4-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile?
4-[2-[2-(4-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 310.43 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-methylcyclohexylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 52946045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).