5-(4-bromophenyl)-N,3-diphenyl-6H-1,3,4-thiadiazin-2-imine

C21H16BrN3S — CID 102528484

IUPAC5-(4-bromophenyl)-N,3-diphenyl-6H-1,3,4-thiadiazin-2-imine
SMILESBrc1ccc(C2=NN(c3ccccc3)/C(=N/c3ccccc3)SC2)cc1
InChIInChI=1S/C21H16BrN3S/c22-17-13-11-16(12-14-17)20-15-26-21(23-18-7-3-1-4-8-18)25(24-20)19-9-5-2-6-10-19/h1-14H,15H2/b23-21-
InChIKeyJWMWGTPBNVUITF-LNVKXUELSA-N
MW422.35 g/mol
LogP6.09
Rot. Bonds3

About 5-(4-bromophenyl)-N,3-diphenyl-6H-1,3,4-thiadiazin-2-imine

5-(4-bromophenyl)-N,3-diphenyl-6H-1,3,4-thiadiazin-2-imine (PubChem CID 102528484) has the molecular formula C21H16BrN3S and a molecular weight of 422.35 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N,3-diphenyl-6H-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound Name5-(4-bromophenyl)-N,3-diphenyl-6H-1,3,4-thiadiazin-2-imine
PubChem CID102528484
Molecular FormulaC21H16BrN3S
Molecular Weight422.35 g/mol
Exact Mass421.02
IUPAC Name5-(4-bromophenyl)-N,3-diphenyl-6H-1,3,4-thiadiazin-2-imine
SMILESBrc1ccc(C2=NN(c3ccccc3)/C(=N/c3ccccc3)SC2)cc1
InChIInChI=1S/C21H16BrN3S/c22-17-13-11-16(12-14-17)20-15-26-21(23-18-7-3-1-4-8-18)25(24-20)19-9-5-2-6-10-19/h1-14H,15H2/b23-21-
InChIKeyJWMWGTPBNVUITF-LNVKXUELSA-N
XLogP6.09
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.35
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-(4-bromophenyl)-N,3-diphenyl-6H-1,3,4-thiadiazin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-bromophenyl)-2-phenyl-4,5-dihydro-1,2,4-triazin-3-one
CID 13149238
6-(4-bromophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 927328
6-(4-bromophenyl)-3-(phenoxymethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 1284791
3-amino-2-phenylimino-1,3-thiazolidin-4-one
CID 6456050
2-(4-bromophenyl)-5-phenylthiophene
CID 10313583
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890
(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7411218
3-methyl-5-phenyl-2-phenylimino-1,3,5-thiadiazinan-4-one
CID 154246141
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
6-(4-bromophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 650338
6-(4-bromophenyl)-3-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 3770239
3-(4-bromophenyl)-6,8-diphenyl-2H-pyrido[2,1-b][1,3,4]thiadiazin-5-ium
CID 12773458

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N,3-diphenyl-6H-1,3,4-thiadiazin-2-imine?
The IUPAC name of 5-(4-bromophenyl)-N,3-diphenyl-6H-1,3,4-thiadiazin-2-imine (CID 102528484) is 5-(4-bromophenyl)-N,3-diphenyl-6H-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for 5-(4-bromophenyl)-N,3-diphenyl-6H-1,3,4-thiadiazin-2-imine?
The canonical SMILES for 5-(4-bromophenyl)-N,3-diphenyl-6H-1,3,4-thiadiazin-2-imine is Brc1ccc(C2=NN(c3ccccc3)/C(=N/c3ccccc3)SC2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N,3-diphenyl-6H-1,3,4-thiadiazin-2-imine?
The InChIKey is JWMWGTPBNVUITF-LNVKXUELSA-N. The full InChI is InChI=1S/C21H16BrN3S/c22-17-13-11-16(12-14-17)20-15-26-21(23-18-7-3-1-4-8-18)25(24-20)19-9-5-2-6-10-19/h1-14H,15H2/b23-21-.
What are the key properties of 5-(4-bromophenyl)-N,3-diphenyl-6H-1,3,4-thiadiazin-2-imine?
5-(4-bromophenyl)-N,3-diphenyl-6H-1,3,4-thiadiazin-2-imine has a molecular weight of 422.35 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N,3-diphenyl-6H-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 102528484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).