N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine

C15H13N3S — CID 682802

IUPACN-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine
SMILESC/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1
InChIInChI=1S/C15H13N3S/c1-16-15-17-14(12-8-4-2-5-9-12)18(19-15)13-10-6-3-7-11-13/h2-11H,1H3/b16-15+
InChIKeyFFUBTEITUNMMOK-FOCLMDBBSA-N
MW267.36 g/mol
LogP3.13
Rot. Bonds2

About N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine

N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine (PubChem CID 682802) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine.

Molecular Properties

Compound NameN-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine
PubChem CID682802
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC NameN-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine
SMILESC/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1
InChIInChI=1S/C15H13N3S/c1-16-15-17-14(12-8-4-2-5-9-12)18(19-15)13-10-6-3-7-11-13/h2-11H,1H3/b16-15+
InChIKeyFFUBTEITUNMMOK-FOCLMDBBSA-N
XLogP3.13
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.13
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

2-Phenylquinazoline-4(1H)-thione
CID 838258
1,2-Dihydro-1,5-diphenyl-3H-1,2,4-triazole-3-thione
CID 2802516
N,N'-Diphenylbenzamidine
CID 75709
(E)-N-(2,3-diphenyl-1,2,4-thiadiazol-5(2H)-yliden
CID 11165763
SCH-202676 hydrobromide
CID 11957689
2-[(2,3-Diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrochloride
CID 56965124
Methyl-[3-phenyl-2-m-tolyl-2H-[1,2,4]thiadiazol-(5E)-ylidene]-amine
CID 10016584
2,3-Diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide
CID 57326215
N,2,3-triphenyl-2,5-dihydro-1,2,4-thiadiazol-5-imine
CID 2134245
2-[(2,3-Diphenyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]ethanol hydrobromide
CID 46902082
5-Pentylimino-2,3-diphenyl-2,5-dihydro-1,2,4-thiadiazole hydrobromide
CID 57326216
N-(methylcarbamothioyl)-N'-(4-methylphenyl)benzenecarboximidamide
CID 5717793

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine?
The IUPAC name of N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine (CID 682802) is N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine.
What is the SMILES notation for N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine?
The canonical SMILES for N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine is C/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1.
What is the InChIKey of N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine?
The InChIKey is FFUBTEITUNMMOK-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H13N3S/c1-16-15-17-14(12-8-4-2-5-9-12)18(19-15)13-10-6-3-7-11-13/h2-11H,1H3/b16-15+.
What are the key properties of N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine?
N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine has a molecular weight of 267.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine is sourced from PubChem (CID 682802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).