benzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene

C16H12BrN3S — CID 91928514

IUPACbenzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene
SMILESBrc1ccc(-c2csc(/N=N/Cc3ccccc3)n2)cc1
InChIInChI=1S/C16H12BrN3S/c17-14-8-6-13(7-9-14)15-11-21-16(19-15)20-18-10-12-4-2-1-3-5-12/h1-9,11H,10H2/b20-18+
InChIKeyIVWQOWMXEVHCSH-CZIZESTLSA-N
MW358.26 g/mol
LogP5.86
Rot. Bonds4

About benzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene

benzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene (PubChem CID 91928514) has the molecular formula C16H12BrN3S and a molecular weight of 358.26 g/mol. Its IUPAC name is benzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene.

Molecular Properties

Compound Namebenzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene
PubChem CID91928514
Molecular FormulaC16H12BrN3S
Molecular Weight358.26 g/mol
Exact Mass356.99
IUPAC Namebenzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene
SMILESBrc1ccc(-c2csc(/N=N/Cc3ccccc3)n2)cc1
InChIInChI=1S/C16H12BrN3S/c17-14-8-6-13(7-9-14)15-11-21-16(19-15)20-18-10-12-4-2-1-3-5-12/h1-9,11H,10H2/b20-18+
InChIKeyIVWQOWMXEVHCSH-CZIZESTLSA-N
XLogP5.86
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.26
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene 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

[4-(4-bromophenyl)-1,3-thiazol-2-yl]-[(4-chloro-3-nitrophenyl)methyl]diazene
CID 91426578
4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole
CID 79839439
N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N,N-diethylmethanimidamide
CID 23878040
3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazenyl]-1H-indol-2-ol bromide
CID 135794067
4-[4-[2-[(4-methylsulfanylphenyl)methyldiazenyl]-1,3-thiazol-4-yl]anilino]-4-oxobutanoic acid
CID 123885283
[2-ethoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)diazenyl]methyl]phenyl] benzenesulfonate
CID 170922550
4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 79839724
4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine
CID 2756846
(E)-N-(4-phenyl-1,3-thiazol-2-yl)butan-1-imine
CID 119086097
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol
CID 135489146
bis(4-bromo-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol);nickel
CID 135539795

Frequently Asked Questions

What is the IUPAC name of benzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene?
The IUPAC name of benzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene (CID 91928514) is benzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene.
What is the SMILES notation for benzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene?
The canonical SMILES for benzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene is Brc1ccc(-c2csc(/N=N/Cc3ccccc3)n2)cc1.
What is the InChIKey of benzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene?
The InChIKey is IVWQOWMXEVHCSH-CZIZESTLSA-N. The full InChI is InChI=1S/C16H12BrN3S/c17-14-8-6-13(7-9-14)15-11-21-16(19-15)20-18-10-12-4-2-1-3-5-12/h1-9,11H,10H2/b20-18+.
What are the key properties of benzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene?
benzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene has a molecular weight of 358.26 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[4-(4-bromophenyl)-1,3-thiazol-2-yl]diazene is sourced from PubChem (CID 91928514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).