N-[4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]ethanimine

C19H18ClN3OS — CID 66804152

About N-[4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]ethanimine

N-[4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]ethanimine (PubChem CID 66804152) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is N-[4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]ethanimine.

Molecular Properties

• Compound Name: N-[4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]ethanimine
• PubChem CID: 66804152
• Molecular Formula: C19H18ClN3OS
• Molecular Weight: 371.89 g/mol
• Exact Mass: 371.09
• IUPAC Name: N-[4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]ethanimine
• SMILES: C/C=N/c1cc(C)c(Oc2nc(Cc3ccc(Cl)cc3)ns2)cc1C
• InChI: InChI=1S/C19H18ClN3OS/c1-4-21-16-9-13(3)17(10-12(16)2)24-19-22-18(23-25-19)11-14-5-7-15(20)8-6-14/h4-10H,11H2,1-3H3/b21-4+
• InChIKey: VJNRXNAVMIVCFM-IPBDZQFASA-N
• XLogP: 5.91
• TPSA: 47.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	371.89
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]ethanimine?

The IUPAC name of N-[4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]ethanimine (CID 66804152) is N-[4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]ethanimine.

What is the SMILES notation for N-[4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]ethanimine?

The canonical SMILES for N-[4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]ethanimine is C/C=N/c1cc(C)c(Oc2nc(Cc3ccc(Cl)cc3)ns2)cc1C.

What is the InChIKey of N-[4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]ethanimine?

The InChIKey is VJNRXNAVMIVCFM-IPBDZQFASA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-4-21-16-9-13(3)17(10-12(16)2)24-19-22-18(23-25-19)11-14-5-7-15(20)8-6-14/h4-10H,11H2,1-3H3/b21-4+.

What are the key properties of N-[4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]ethanimine?

N-[4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]ethanimine has a molecular weight of 371.89 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]ethanimine is sourced from PubChem (CID 66804152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).