(E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylsulfanylphenyl)methanimine

C18H17N3S2 — CID 139078227

IUPAC(E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylsulfanylphenyl)methanimine
SMILESCSc1ccc(/C=N/c2nnc(-c3cc(C)cc(C)c3)s2)cc1
InChIInChI=1S/C18H17N3S2/c1-12-8-13(2)10-15(9-12)17-20-21-18(23-17)19-11-14-4-6-16(22-3)7-5-14/h4-11H,1-3H3/b19-11+
InChIKeyVWEKIEVFNQZRKZ-YBFXNURJSA-N
MW339.49 g/mol
LogP5.29
Rot. Bonds4

About (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylsulfanylphenyl)methanimine

(E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylsulfanylphenyl)methanimine (PubChem CID 139078227) has the molecular formula C18H17N3S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylsulfanylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylsulfanylphenyl)methanimine
PubChem CID139078227
Molecular FormulaC18H17N3S2
Molecular Weight339.49 g/mol
Exact Mass339.09
IUPAC Name(E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylsulfanylphenyl)methanimine
SMILESCSc1ccc(/C=N/c2nnc(-c3cc(C)cc(C)c3)s2)cc1
InChIInChI=1S/C18H17N3S2/c1-12-8-13(2)10-15(9-12)17-20-21-18(23-17)19-11-14-4-6-16(22-3)7-5-14/h4-11H,1-3H3/b19-11+
InChIKeyVWEKIEVFNQZRKZ-YBFXNURJSA-N
XLogP5.29
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.49
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylsulfanylphenyl)methanimine 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 (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylsulfanylphenyl)methanimine?
The IUPAC name of (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylsulfanylphenyl)methanimine (CID 139078227) is (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylsulfanylphenyl)methanimine.
What is the SMILES notation for (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylsulfanylphenyl)methanimine?
The canonical SMILES for (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylsulfanylphenyl)methanimine is CSc1ccc(/C=N/c2nnc(-c3cc(C)cc(C)c3)s2)cc1.
What is the InChIKey of (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylsulfanylphenyl)methanimine?
The InChIKey is VWEKIEVFNQZRKZ-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N3S2/c1-12-8-13(2)10-15(9-12)17-20-21-18(23-17)19-11-14-4-6-16(22-3)7-5-14/h4-11H,1-3H3/b19-11+.
What are the key properties of (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylsulfanylphenyl)methanimine?
(E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylsulfanylphenyl)methanimine has a molecular weight of 339.49 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylsulfanylphenyl)methanimine is sourced from PubChem (CID 139078227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).