(E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine

C16H13N3S — CID 12690429

IUPAC(E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
SMILESCc1ccc(/C=N/c2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C16H13N3S/c1-12-7-9-13(10-8-12)11-17-16-19-18-15(20-16)14-5-3-2-4-6-14/h2-11H,1H3/b17-11+
InChIKeyWPWOPDISEAABLN-GZTJUZNOSA-N
MW279.37 g/mol
LogP4.26
Rot. Bonds3

About (E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine

(E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine (PubChem CID 12690429) has the molecular formula C16H13N3S and a molecular weight of 279.37 g/mol. Its IUPAC name is (E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
PubChem CID12690429
Molecular FormulaC16H13N3S
Molecular Weight279.37 g/mol
Exact Mass279.08
IUPAC Name(E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
SMILESCc1ccc(/C=N/c2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C16H13N3S/c1-12-7-9-13(10-8-12)11-17-16-19-18-15(20-16)14-5-3-2-4-6-14/h2-11H,1H3/b17-11+
InChIKeyWPWOPDISEAABLN-GZTJUZNOSA-N
XLogP4.26
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine 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

(E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methoxyphenyl)methanimine
CID 54590014
(E)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-thiophen-2-ylmethanimine
CID 139076781
N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
CID 6261906
(E)-1-[5-(4-bromophenyl)furan-2-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
CID 171980446
(E)-1-(7-bromo-1,3-benzodioxol-5-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
CID 171980448
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)methanimine
CID 23768279
4-[5-[(4-hydroxyphenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol
CID 169094408
2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole
CID 145125829
[2-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenyl] 2-methylprop-2-enoate
CID 177450648
2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol
CID 137279187
2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
CID 122206222

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine?
The IUPAC name of (E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine (CID 12690429) is (E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine.
What is the SMILES notation for (E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine?
The canonical SMILES for (E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine is Cc1ccc(/C=N/c2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of (E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine?
The InChIKey is WPWOPDISEAABLN-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H13N3S/c1-12-7-9-13(10-8-12)11-17-16-19-18-15(20-16)14-5-3-2-4-6-14/h2-11H,1H3/b17-11+.
What are the key properties of (E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine?
(E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine has a molecular weight of 279.37 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine is sourced from PubChem (CID 12690429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).