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

C14H11N3S — CID 682721

IUPAC2,3-diphenyl-1,2,4-thiadiazol-5-imine
SMILES[H]/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1
InChIInChI=1S/C14H11N3S/c15-14-16-13(11-7-3-1-4-8-11)17(18-14)12-9-5-2-6-10-12/h1-10,15H/b15-14+
InChIKeyCJYMXOYAAWDJMB-CCEZHUSRSA-N
MW253.33 g/mol
LogP3.08
Rot. Bonds2

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

2,3-diphenyl-1,2,4-thiadiazol-5-imine (PubChem CID 682721) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2,3-diphenyl-1,2,4-thiadiazol-5-imine.

Molecular Properties

Compound Name2,3-diphenyl-1,2,4-thiadiazol-5-imine
PubChem CID682721
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name2,3-diphenyl-1,2,4-thiadiazol-5-imine
SMILES[H]/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1
InChIInChI=1S/C14H11N3S/c15-14-16-13(11-7-3-1-4-8-11)17(18-14)12-9-5-2-6-10-12/h1-10,15H/b15-14+
InChIKeyCJYMXOYAAWDJMB-CCEZHUSRSA-N
XLogP3.08
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
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

N-Phenylbenzamidine
CID 200127
Methanamine, N-(2,3-diphenyl-1,2,4-thiadiazol-5(2H)-ylidene)-
CID 682802
2-Phenylquinazoline-4(1H)-thione
CID 838258
1,2-Dihydro-1,5-diphenyl-3H-1,2,4-triazole-3-thione
CID 2802516
Benzamidine, N-phenyl-, monohydrochloride
CID 200126
N,N'-Diphenylbenzamidine
CID 75709
T0501-0864
CID 732118
3,4-dihydro-2(1H)-quinolinylidene(phenyl)amine
CID 780385
(E)-N-(2,3-diphenyl-1,2,4-thiadiazol-5(2H)-yliden
CID 11165763
SCH-202676 hydrobromide
CID 11957689
N,N-diphenylbenzamidine
CID 361541
3H-1,2,4-Triazol-3-one, 1,2-dihydro-1,5-diphenyl-
CID 851777

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1,2,4-thiadiazol-5-imine?
The IUPAC name of 2,3-diphenyl-1,2,4-thiadiazol-5-imine (CID 682721) is 2,3-diphenyl-1,2,4-thiadiazol-5-imine.
What is the SMILES notation for 2,3-diphenyl-1,2,4-thiadiazol-5-imine?
The canonical SMILES for 2,3-diphenyl-1,2,4-thiadiazol-5-imine is [H]/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1.
What is the InChIKey of 2,3-diphenyl-1,2,4-thiadiazol-5-imine?
The InChIKey is CJYMXOYAAWDJMB-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H11N3S/c15-14-16-13(11-7-3-1-4-8-11)17(18-14)12-9-5-2-6-10-12/h1-10,15H/b15-14+.
What are the key properties of 2,3-diphenyl-1,2,4-thiadiazol-5-imine?
2,3-diphenyl-1,2,4-thiadiazol-5-imine has a molecular weight of 253.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1,2,4-thiadiazol-5-imine is sourced from PubChem (CID 682721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).