phenyl-(5-phenyl-1,3,4-thiadiazol-2-yl)diazene

C14H10N4S — CID 15557536

IUPACphenyl-(5-phenyl-1,3,4-thiadiazol-2-yl)diazene
SMILESc1ccc(/N=N/c2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C14H10N4S/c1-3-7-11(8-4-1)13-16-18-14(19-13)17-15-12-9-5-2-6-10-12/h1-10H/b17-15+
InChIKeySJRQLAODISXNGU-BMRADRMJSA-N
MW266.33 g/mol
LogP4.62
Rot. Bonds3

About phenyl-(5-phenyl-1,3,4-thiadiazol-2-yl)diazene

phenyl-(5-phenyl-1,3,4-thiadiazol-2-yl)diazene (PubChem CID 15557536) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is phenyl-(5-phenyl-1,3,4-thiadiazol-2-yl)diazene.

Molecular Properties

Compound Namephenyl-(5-phenyl-1,3,4-thiadiazol-2-yl)diazene
PubChem CID15557536
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Namephenyl-(5-phenyl-1,3,4-thiadiazol-2-yl)diazene
SMILESc1ccc(/N=N/c2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C14H10N4S/c1-3-7-11(8-4-1)13-16-18-14(19-13)17-15-12-9-5-2-6-10-12/h1-10H/b17-15+
InChIKeySJRQLAODISXNGU-BMRADRMJSA-N
XLogP4.62
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2,3,5-Triphenyltetrazolium
CID 9284
2-(4-fluorophenyl)-5-phenyl-2H-tetrazole
CID 2990094
2,5-Diphenyl-2H-tetrazole
CID 140328
2-(2-ethylphenyl)-5-phenyl-2H-tetrazole
CID 23606527
1-[5-(2-Methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylhydrazine
CID 13684070
2-[5-(2-Aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride
CID 45265550
5-Benzylsulfanyl-2-phenyl-tetrazole
CID 49767651
2-(4-Methylphenyl)-5-phenyltetrazole
CID 570569
1-(3-nitrophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
CID 691122
5-[(4-iodobenzyl)sulfanyl]-2-phenyl-2H-tetrazole
CID 1241090
2-Phenyl-5-(p-tolylmethylsulfanyl)tetrazole
CID 49767652
5-Benzylsulfanyl-2-(p-tolyl)tetrazole
CID 49767657

Frequently Asked Questions

What is the IUPAC name of phenyl-(5-phenyl-1,3,4-thiadiazol-2-yl)diazene?
The IUPAC name of phenyl-(5-phenyl-1,3,4-thiadiazol-2-yl)diazene (CID 15557536) is phenyl-(5-phenyl-1,3,4-thiadiazol-2-yl)diazene.
What is the SMILES notation for phenyl-(5-phenyl-1,3,4-thiadiazol-2-yl)diazene?
The canonical SMILES for phenyl-(5-phenyl-1,3,4-thiadiazol-2-yl)diazene is c1ccc(/N=N/c2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of phenyl-(5-phenyl-1,3,4-thiadiazol-2-yl)diazene?
The InChIKey is SJRQLAODISXNGU-BMRADRMJSA-N. The full InChI is InChI=1S/C14H10N4S/c1-3-7-11(8-4-1)13-16-18-14(19-13)17-15-12-9-5-2-6-10-12/h1-10H/b17-15+.
What are the key properties of phenyl-(5-phenyl-1,3,4-thiadiazol-2-yl)diazene?
phenyl-(5-phenyl-1,3,4-thiadiazol-2-yl)diazene has a molecular weight of 266.33 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(5-phenyl-1,3,4-thiadiazol-2-yl)diazene is sourced from PubChem (CID 15557536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).