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

C14H12BrN3S — CID 57326215

IUPAC2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide
SMILESBr.[H]/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1
InChIInChI=1S/C14H11N3S.BrH/c15-14-16-13(11-7-3-1-4-8-11)17(18-14)12-9-5-2-6-10-12;/h1-10,15H;1H/b15-14+;
InChIKeyPDCVKSZRUGWGAA-WPDLWGESSA-N
MW334.24 g/mol
LogP3.66
Rot. Bonds2

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

2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide (PubChem CID 57326215) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide.

Molecular Properties

Compound Name2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide
PubChem CID57326215
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC Name2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide
SMILESBr.[H]/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1
InChIInChI=1S/C14H11N3S.BrH/c15-14-16-13(11-7-3-1-4-8-11)17(18-14)12-9-5-2-6-10-12;/h1-10,15H;1H/b15-14+;
InChIKeyPDCVKSZRUGWGAA-WPDLWGESSA-N
XLogP3.66
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 53.66
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
N,N'-Diphenylbenzamidine
CID 75709
T0501-0864
CID 732118
(E)-N-(2,3-diphenyl-1,2,4-thiadiazol-5(2H)-yliden
CID 11165763
SCH-202676 hydrobromide
CID 11957689
N,N-diphenylbenzamidine
CID 361541
N-[(Z)-amino(phenyl)methylidene]-N'-phenylthiourea
CID 9581708
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

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide?
The IUPAC name of 2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide (CID 57326215) is 2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide.
What is the SMILES notation for 2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide?
The canonical SMILES for 2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide is Br.[H]/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1.
What is the InChIKey of 2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide?
The InChIKey is PDCVKSZRUGWGAA-WPDLWGESSA-N. The full InChI is InChI=1S/C14H11N3S.BrH/c15-14-16-13(11-7-3-1-4-8-11)17(18-14)12-9-5-2-6-10-12;/h1-10,15H;1H/b15-14+;.
What are the key properties of 2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide?
2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide has a molecular weight of 334.24 g/mol, XLogP of 3.66, 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;hydrobromide is sourced from PubChem (CID 57326215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).