(Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine

C16H12ClFN4S — CID 7574915

IUPAC(Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(/C=N\n2cnnc2SCc2ccccc2Cl)cc1
InChIInChI=1S/C16H12ClFN4S/c17-15-4-2-1-3-13(15)10-23-16-21-19-11-22(16)20-9-12-5-7-14(18)8-6-12/h1-9,11H,10H2/b20-9-
InChIKeyIHRQRFCPHHQKLZ-UKWGHVSLSA-N
MW346.82 g/mol
LogP4.25
Rot. Bonds5

About (Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine

(Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine (PubChem CID 7574915) has the molecular formula C16H12ClFN4S and a molecular weight of 346.82 g/mol. Its IUPAC name is (Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine
PubChem CID7574915
Molecular FormulaC16H12ClFN4S
Molecular Weight346.82 g/mol
Exact Mass346.05
IUPAC Name(Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine
SMILESFc1ccc(/C=N\n2cnnc2SCc2ccccc2Cl)cc1
InChIInChI=1S/C16H12ClFN4S/c17-15-4-2-1-3-13(15)10-23-16-21-19-11-22(16)20-9-12-5-7-14(18)8-6-12/h1-9,11H,10H2/b20-9-
InChIKeyIHRQRFCPHHQKLZ-UKWGHVSLSA-N
XLogP4.25
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)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 (Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine?
The IUPAC name of (Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine (CID 7574915) is (Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine.
What is the SMILES notation for (Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine?
The canonical SMILES for (Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine is Fc1ccc(/C=N\n2cnnc2SCc2ccccc2Cl)cc1.
What is the InChIKey of (Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine?
The InChIKey is IHRQRFCPHHQKLZ-UKWGHVSLSA-N. The full InChI is InChI=1S/C16H12ClFN4S/c17-15-4-2-1-3-13(15)10-23-16-21-19-11-22(16)20-9-12-5-7-14(18)8-6-12/h1-9,11H,10H2/b20-9-.
What are the key properties of (Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine?
(Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine has a molecular weight of 346.82 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine is sourced from PubChem (CID 7574915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).