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

C15H8Cl3N3S — CID 155538670

IUPAC(E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2,4-dichlorophenyl)methanimine
SMILESClc1ccc(-c2nnc(/N=C/c3ccc(Cl)cc3Cl)s2)cc1
InChIInChI=1S/C15H8Cl3N3S/c16-11-4-1-9(2-5-11)14-20-21-15(22-14)19-8-10-3-6-12(17)7-13(10)18/h1-8H/b19-8+
InChIKeyOVKISKAHFJKGMO-UFWORHAWSA-N
MW368.68 g/mol
LogP5.92
Rot. Bonds3

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

(E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2,4-dichlorophenyl)methanimine (PubChem CID 155538670) has the molecular formula C15H8Cl3N3S and a molecular weight of 368.68 g/mol. Its IUPAC name is (E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2,4-dichlorophenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2,4-dichlorophenyl)methanimine
PubChem CID155538670
Molecular FormulaC15H8Cl3N3S
Molecular Weight368.68 g/mol
Exact Mass366.95
IUPAC Name(E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2,4-dichlorophenyl)methanimine
SMILESClc1ccc(-c2nnc(/N=C/c3ccc(Cl)cc3Cl)s2)cc1
InChIInChI=1S/C15H8Cl3N3S/c16-11-4-1-9(2-5-11)14-20-21-15(22-14)19-8-10-3-6-12(17)7-13(10)18/h1-8H/b19-8+
InChIKeyOVKISKAHFJKGMO-UFWORHAWSA-N
XLogP5.92
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2,4-dichlorophenyl)methanimine?
The IUPAC name of (E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2,4-dichlorophenyl)methanimine (CID 155538670) is (E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2,4-dichlorophenyl)methanimine.
What is the SMILES notation for (E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2,4-dichlorophenyl)methanimine?
The canonical SMILES for (E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2,4-dichlorophenyl)methanimine is Clc1ccc(-c2nnc(/N=C/c3ccc(Cl)cc3Cl)s2)cc1.
What is the InChIKey of (E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2,4-dichlorophenyl)methanimine?
The InChIKey is OVKISKAHFJKGMO-UFWORHAWSA-N. The full InChI is InChI=1S/C15H8Cl3N3S/c16-11-4-1-9(2-5-11)14-20-21-15(22-14)19-8-10-3-6-12(17)7-13(10)18/h1-8H/b19-8+.
What are the key properties of (E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2,4-dichlorophenyl)methanimine?
(E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2,4-dichlorophenyl)methanimine has a molecular weight of 368.68 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2,4-dichlorophenyl)methanimine is sourced from PubChem (CID 155538670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).