N,2,3-triphenyl-1,2,4-thiadiazol-5-imine;hydrobromide

C20H16BrN3S — CID 11165763

IUPACN,2,3-triphenyl-1,2,4-thiadiazol-5-imine;hydrobromide
SMILESBr.c1ccc(/N=c2\nc(-c3ccccc3)n(-c3ccccc3)s2)cc1
InChIInChI=1S/C20H15N3S.BrH/c1-4-10-16(11-5-1)19-22-20(21-17-12-6-2-7-13-17)24-23(19)18-14-8-3-9-15-18;/h1-15H;1H/b21-20+;
InChIKeyVNOTVCHVYQVXGB-ANVLNOONSA-N
MW410.34 g/mol
LogP5.41
Rot. Bonds3

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

N,2,3-triphenyl-1,2,4-thiadiazol-5-imine;hydrobromide (PubChem CID 11165763) has the molecular formula C20H16BrN3S and a molecular weight of 410.34 g/mol. Its IUPAC name is N,2,3-triphenyl-1,2,4-thiadiazol-5-imine;hydrobromide.

Molecular Properties

Compound NameN,2,3-triphenyl-1,2,4-thiadiazol-5-imine;hydrobromide
PubChem CID11165763
Molecular FormulaC20H16BrN3S
Molecular Weight410.34 g/mol
Exact Mass409.02
IUPAC NameN,2,3-triphenyl-1,2,4-thiadiazol-5-imine;hydrobromide
SMILESBr.c1ccc(/N=c2\nc(-c3ccccc3)n(-c3ccccc3)s2)cc1
InChIInChI=1S/C20H15N3S.BrH/c1-4-10-16(11-5-1)19-22-20(21-17-12-6-2-7-13-17)24-23(19)18-14-8-3-9-15-18;/h1-15H;1H/b21-20+;
InChIKeyVNOTVCHVYQVXGB-ANVLNOONSA-N
XLogP5.41
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.34
LogP ≤ 55.41
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
N,N'-Diphenylbenzamidine
CID 75709
T0501-0864
CID 732118
SCH-202676 hydrobromide
CID 11957689
2-[(2,3-Diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol;hydrochloride
CID 56965124
N,N-diphenylbenzamidine
CID 361541
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
2,3-Diphenylquinazolin-4-imine;hydrochloride
CID 137632875
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

Frequently Asked Questions

What is the IUPAC name of N,2,3-triphenyl-1,2,4-thiadiazol-5-imine;hydrobromide?
The IUPAC name of N,2,3-triphenyl-1,2,4-thiadiazol-5-imine;hydrobromide (CID 11165763) is N,2,3-triphenyl-1,2,4-thiadiazol-5-imine;hydrobromide.
What is the SMILES notation for N,2,3-triphenyl-1,2,4-thiadiazol-5-imine;hydrobromide?
The canonical SMILES for N,2,3-triphenyl-1,2,4-thiadiazol-5-imine;hydrobromide is Br.c1ccc(/N=c2\nc(-c3ccccc3)n(-c3ccccc3)s2)cc1.
What is the InChIKey of N,2,3-triphenyl-1,2,4-thiadiazol-5-imine;hydrobromide?
The InChIKey is VNOTVCHVYQVXGB-ANVLNOONSA-N. The full InChI is InChI=1S/C20H15N3S.BrH/c1-4-10-16(11-5-1)19-22-20(21-17-12-6-2-7-13-17)24-23(19)18-14-8-3-9-15-18;/h1-15H;1H/b21-20+;.
What are the key properties of N,2,3-triphenyl-1,2,4-thiadiazol-5-imine;hydrobromide?
N,2,3-triphenyl-1,2,4-thiadiazol-5-imine;hydrobromide has a molecular weight of 410.34 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-triphenyl-1,2,4-thiadiazol-5-imine;hydrobromide is sourced from PubChem (CID 11165763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).