4-[(2-benzylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile

C19H16N4S — CID 23882028

IUPAC4-[(2-benzylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
SMILESCc1cs/c(=N\Cc2ccccc2)n1N=Cc1ccc(C#N)cc1
InChIInChI=1S/C19H16N4S/c1-15-14-24-19(21-12-17-5-3-2-4-6-17)23(15)22-13-18-9-7-16(11-20)8-10-18/h2-10,13-14H,12H2,1H3/b21-19-,22-13?
InChIKeyFGUPQLUICZCVAB-VKCFHCLMSA-N
MW332.43 g/mol
LogP3.71
Rot. Bonds4

About 4-[(2-benzylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile

4-[(2-benzylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile (PubChem CID 23882028) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-[(2-benzylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile.

Molecular Properties

Compound Name4-[(2-benzylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
PubChem CID23882028
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Name4-[(2-benzylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
SMILESCc1cs/c(=N\Cc2ccccc2)n1N=Cc1ccc(C#N)cc1
InChIInChI=1S/C19H16N4S/c1-15-14-24-19(21-12-17-5-3-2-4-6-17)23(15)22-13-18-9-7-16(11-20)8-10-18/h2-10,13-14H,12H2,1H3/b21-19-,22-13?
InChIKeyFGUPQLUICZCVAB-VKCFHCLMSA-N
XLogP3.71
TPSA53.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(2-benzylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile 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

N-benzyl-4-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23736817
4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 2455890
4-[(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 23798582
4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 23910735
4-[[4-(4-chlorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 23963868
4-[[4-(2,5-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 23857230
4-[(Z)-[4-(4-fluorophenyl)-2-(2-methoxyethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 7975619
3-[[4-methyl-2-(2-phenylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135692917
4-[[4-[4-(difluoromethoxy)phenyl]-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 2457453
4-[(E)-[4-[4-(difluoromethoxy)phenyl]-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 6906107
4-[(E)-[4-(2,4-dichlorophenyl)-2-(2-methoxyethylimino)-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 6902479
(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7959634

Frequently Asked Questions

What is the IUPAC name of 4-[(2-benzylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile?
The IUPAC name of 4-[(2-benzylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile (CID 23882028) is 4-[(2-benzylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile.
What is the SMILES notation for 4-[(2-benzylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile?
The canonical SMILES for 4-[(2-benzylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile is Cc1cs/c(=N\Cc2ccccc2)n1N=Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[(2-benzylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile?
The InChIKey is FGUPQLUICZCVAB-VKCFHCLMSA-N. The full InChI is InChI=1S/C19H16N4S/c1-15-14-24-19(21-12-17-5-3-2-4-6-17)23(15)22-13-18-9-7-16(11-20)8-10-18/h2-10,13-14H,12H2,1H3/b21-19-,22-13?.
What are the key properties of 4-[(2-benzylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile?
4-[(2-benzylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile has a molecular weight of 332.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-benzylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile is sourced from PubChem (CID 23882028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).