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

C16H13Cl2N3S — CID 11256598

IUPAC2,3-bis(4-chlorophenyl)-N-ethyl-1,2,4-thiadiazol-5-imine
SMILESCC/N=c1\nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H13Cl2N3S/c1-2-19-16-20-15(11-3-5-12(17)6-4-11)21(22-16)14-9-7-13(18)8-10-14/h3-10H,2H2,1H3/b19-16+
InChIKeyMJDVUVAHBUOHMD-KNTRCKAVSA-N
MW350.27 g/mol
LogP4.83
Rot. Bonds3

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

2,3-bis(4-chlorophenyl)-N-ethyl-1,2,4-thiadiazol-5-imine (PubChem CID 11256598) has the molecular formula C16H13Cl2N3S and a molecular weight of 350.27 g/mol. Its IUPAC name is 2,3-bis(4-chlorophenyl)-N-ethyl-1,2,4-thiadiazol-5-imine.

Molecular Properties

Compound Name2,3-bis(4-chlorophenyl)-N-ethyl-1,2,4-thiadiazol-5-imine
PubChem CID11256598
Molecular FormulaC16H13Cl2N3S
Molecular Weight350.27 g/mol
Exact Mass349.02
IUPAC Name2,3-bis(4-chlorophenyl)-N-ethyl-1,2,4-thiadiazol-5-imine
SMILESCC/N=c1\nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H13Cl2N3S/c1-2-19-16-20-15(11-3-5-12(17)6-4-11)21(22-16)14-9-7-13(18)8-10-14/h3-10H,2H2,1H3/b19-16+
InChIKeyMJDVUVAHBUOHMD-KNTRCKAVSA-N
XLogP4.83
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methanamine, N-(2,3-diphenyl-1,2,4-thiadiazol-5(2H)-ylidene)-
CID 682802
SCH-202676 hydrobromide
CID 11957689
Benzenecarboximidamide, N-(4-chlorophenyl)-N'-phenyl-
CID 602108
Methyl-[3-phenyl-2-m-tolyl-2H-[1,2,4]thiadiazol-(5E)-ylidene]-amine
CID 10016584
5-Pentylimino-2,3-diphenyl-2,5-dihydro-1,2,4-thiadiazole hydrobromide
CID 57326216
4-Chloro-N,N'-diphenyl-benzamidine
CID 469590
1-(4-Chlorophenyl)-2-[4-[1-(4-chlorophenyl)-4,5-dihydroimidazol-2-yl]phenyl]-4,5-dihydroimidazole
CID 155551139
1-Piperidinecarboximidothioic acid, N-[(E)-[(4-chlorophenyl)imino]phenylmethyl]-, methyl ester
CID 3010781
3-(4-chlorophenyl)-N-methyl-2-phenyl-1,2,4-thiadiazol-5-imine
CID 11460827
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
2-(3-chlorophenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine
CID 11150793

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-chlorophenyl)-N-ethyl-1,2,4-thiadiazol-5-imine?
The IUPAC name of 2,3-bis(4-chlorophenyl)-N-ethyl-1,2,4-thiadiazol-5-imine (CID 11256598) is 2,3-bis(4-chlorophenyl)-N-ethyl-1,2,4-thiadiazol-5-imine.
What is the SMILES notation for 2,3-bis(4-chlorophenyl)-N-ethyl-1,2,4-thiadiazol-5-imine?
The canonical SMILES for 2,3-bis(4-chlorophenyl)-N-ethyl-1,2,4-thiadiazol-5-imine is CC/N=c1\nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 2,3-bis(4-chlorophenyl)-N-ethyl-1,2,4-thiadiazol-5-imine?
The InChIKey is MJDVUVAHBUOHMD-KNTRCKAVSA-N. The full InChI is InChI=1S/C16H13Cl2N3S/c1-2-19-16-20-15(11-3-5-12(17)6-4-11)21(22-16)14-9-7-13(18)8-10-14/h3-10H,2H2,1H3/b19-16+.
What are the key properties of 2,3-bis(4-chlorophenyl)-N-ethyl-1,2,4-thiadiazol-5-imine?
2,3-bis(4-chlorophenyl)-N-ethyl-1,2,4-thiadiazol-5-imine has a molecular weight of 350.27 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-chlorophenyl)-N-ethyl-1,2,4-thiadiazol-5-imine is sourced from PubChem (CID 11256598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).