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

C15H12ClN3S — CID 11150793

IUPAC2-(3-chlorophenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine
SMILESC/N=c1\nc(-c2ccccc2)n(-c2cccc(Cl)c2)s1
InChIInChI=1S/C15H12ClN3S/c1-17-15-18-14(11-6-3-2-4-7-11)19(20-15)13-9-5-8-12(16)10-13/h2-10H,1H3/b17-15+
InChIKeyCNBLUOXEHLNZIL-BMRADRMJSA-N
MW301.80 g/mol
LogP3.78
Rot. Bonds2

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

2-(3-chlorophenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine (PubChem CID 11150793) has the molecular formula C15H12ClN3S and a molecular weight of 301.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine
PubChem CID11150793
Molecular FormulaC15H12ClN3S
Molecular Weight301.80 g/mol
Exact Mass301.04
IUPAC Name2-(3-chlorophenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine
SMILESC/N=c1\nc(-c2ccccc2)n(-c2cccc(Cl)c2)s1
InChIInChI=1S/C15H12ClN3S/c1-17-15-18-14(11-6-3-2-4-7-11)19(20-15)13-9-5-8-12(16)10-13/h2-10H,1H3/b17-15+
InChIKeyCNBLUOXEHLNZIL-BMRADRMJSA-N
XLogP3.78
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 53.78
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
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
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
N-methyl-2,3-bis(4-methylphenyl)-1,2,4-thiadiazol-5-imine
CID 11173955
2-(3-chlorophenyl)-N-ethyl-3-phenyl-1,2,4-thiadiazol-5-imine
CID 11220796

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine?
The IUPAC name of 2-(3-chlorophenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine (CID 11150793) is 2-(3-chlorophenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine?
The canonical SMILES for 2-(3-chlorophenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine is C/N=c1\nc(-c2ccccc2)n(-c2cccc(Cl)c2)s1.
What is the InChIKey of 2-(3-chlorophenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine?
The InChIKey is CNBLUOXEHLNZIL-BMRADRMJSA-N. The full InChI is InChI=1S/C15H12ClN3S/c1-17-15-18-14(11-6-3-2-4-7-11)19(20-15)13-9-5-8-12(16)10-13/h2-10H,1H3/b17-15+.
What are the key properties of 2-(3-chlorophenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine?
2-(3-chlorophenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine has a molecular weight of 301.80 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine is sourced from PubChem (CID 11150793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).