2-(3-chlorophenyl)-N-ethyl-3-phenyl-1,2,4-thiadiazol-5-imine

C16H14ClN3S — CID 11220796

IUPAC2-(3-chlorophenyl)-N-ethyl-3-phenyl-1,2,4-thiadiazol-5-imine
SMILESCC/N=c1\nc(-c2ccccc2)n(-c2cccc(Cl)c2)s1
InChIInChI=1S/C16H14ClN3S/c1-2-18-16-19-15(12-7-4-3-5-8-12)20(21-16)14-10-6-9-13(17)11-14/h3-11H,2H2,1H3/b18-16+
InChIKeyQXBFADVVUHRHDE-FBMGVBCBSA-N
MW315.83 g/mol
LogP4.17
Rot. Bonds3

About 2-(3-chlorophenyl)-N-ethyl-3-phenyl-1,2,4-thiadiazol-5-imine

2-(3-chlorophenyl)-N-ethyl-3-phenyl-1,2,4-thiadiazol-5-imine (PubChem CID 11220796) has the molecular formula C16H14ClN3S and a molecular weight of 315.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-ethyl-3-phenyl-1,2,4-thiadiazol-5-imine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-ethyl-3-phenyl-1,2,4-thiadiazol-5-imine
PubChem CID11220796
Molecular FormulaC16H14ClN3S
Molecular Weight315.83 g/mol
Exact Mass315.06
IUPAC Name2-(3-chlorophenyl)-N-ethyl-3-phenyl-1,2,4-thiadiazol-5-imine
SMILESCC/N=c1\nc(-c2ccccc2)n(-c2cccc(Cl)c2)s1
InChIInChI=1S/C16H14ClN3S/c1-2-18-16-19-15(12-7-4-3-5-8-12)20(21-16)14-10-6-9-13(17)11-14/h3-11H,2H2,1H3/b18-16+
InChIKeyQXBFADVVUHRHDE-FBMGVBCBSA-N
XLogP4.17
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}

Analyze 2-(3-chlorophenyl)-N-ethyl-3-phenyl-1,2,4-thiadiazol-5-imine 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

Methanamine, N-(2,3-diphenyl-1,2,4-thiadiazol-5(2H)-ylidene)-
CID 682802
SCH-202676 hydrobromide
CID 11957689
Methyl-[3-phenyl-2-m-tolyl-2H-[1,2,4]thiadiazol-(5E)-ylidene]-amine
CID 10016584
N,2,3-triphenyl-2,5-dihydro-1,2,4-thiadiazol-5-imine
CID 2134245
5-Pentylimino-2,3-diphenyl-2,5-dihydro-1,2,4-thiadiazole hydrobromide
CID 57326216
[2,3-Di-p-tolyl-2H-[1,2,4]thiadiazol-(5E)-ylidene]-ethyl-amine
CID 10086671
N-cyclohexyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide
CID 70692019
3-(4-chlorophenyl)-N-methyl-2-phenyl-1,2,4-thiadiazol-5-imine
CID 11460827
Antiviral agent 25
CID 166642650
2-(4-fluorophenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine
CID 172461148
Benzenecarboximidamide, 4-chloro-N'-methyl-N-phenyl-, monohydrochloride
CID 3049232
N-Methyl-3-phenyl-2-(p-tolyl)-1,2,4-thiadiazol-5(2H)-imine
CID 11150224

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-ethyl-3-phenyl-1,2,4-thiadiazol-5-imine?
The IUPAC name of 2-(3-chlorophenyl)-N-ethyl-3-phenyl-1,2,4-thiadiazol-5-imine (CID 11220796) is 2-(3-chlorophenyl)-N-ethyl-3-phenyl-1,2,4-thiadiazol-5-imine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-ethyl-3-phenyl-1,2,4-thiadiazol-5-imine?
The canonical SMILES for 2-(3-chlorophenyl)-N-ethyl-3-phenyl-1,2,4-thiadiazol-5-imine is CC/N=c1\nc(-c2ccccc2)n(-c2cccc(Cl)c2)s1.
What is the InChIKey of 2-(3-chlorophenyl)-N-ethyl-3-phenyl-1,2,4-thiadiazol-5-imine?
The InChIKey is QXBFADVVUHRHDE-FBMGVBCBSA-N. The full InChI is InChI=1S/C16H14ClN3S/c1-2-18-16-19-15(12-7-4-3-5-8-12)20(21-16)14-10-6-9-13(17)11-14/h3-11H,2H2,1H3/b18-16+.
What are the key properties of 2-(3-chlorophenyl)-N-ethyl-3-phenyl-1,2,4-thiadiazol-5-imine?
2-(3-chlorophenyl)-N-ethyl-3-phenyl-1,2,4-thiadiazol-5-imine has a molecular weight of 315.83 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-ethyl-3-phenyl-1,2,4-thiadiazol-5-imine is sourced from PubChem (CID 11220796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).