3-bromo-4-(4-chlorophenyl)-1,2,5-thiadiazole

C8H4BrClN2S — CID 15252597

IUPAC3-bromo-4-(4-chlorophenyl)-1,2,5-thiadiazole
SMILESClc1ccc(-c2nsnc2Br)cc1
InChIInChI=1S/C8H4BrClN2S/c9-8-7(11-13-12-8)5-1-3-6(10)4-2-5/h1-4H
InChIKeyDOVCDZMIGWBWAC-UHFFFAOYSA-N
MW275.56 g/mol
LogP3.62
Rot. Bonds1

About 3-bromo-4-(4-chlorophenyl)-1,2,5-thiadiazole

3-bromo-4-(4-chlorophenyl)-1,2,5-thiadiazole (PubChem CID 15252597) has the molecular formula C8H4BrClN2S and a molecular weight of 275.56 g/mol. Its IUPAC name is 3-bromo-4-(4-chlorophenyl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-bromo-4-(4-chlorophenyl)-1,2,5-thiadiazole
PubChem CID15252597
Molecular FormulaC8H4BrClN2S
Molecular Weight275.56 g/mol
Exact Mass273.90
IUPAC Name3-bromo-4-(4-chlorophenyl)-1,2,5-thiadiazole
SMILESClc1ccc(-c2nsnc2Br)cc1
InChIInChI=1S/C8H4BrClN2S/c9-8-7(11-13-12-8)5-1-3-6(10)4-2-5/h1-4H
InChIKeyDOVCDZMIGWBWAC-UHFFFAOYSA-N
XLogP3.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.56
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-(4-chlorophenyl)-1,2,5-thiadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-chlorophenyl)-1,2,5-thiadiazole?
The IUPAC name of 3-bromo-4-(4-chlorophenyl)-1,2,5-thiadiazole (CID 15252597) is 3-bromo-4-(4-chlorophenyl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-bromo-4-(4-chlorophenyl)-1,2,5-thiadiazole?
The canonical SMILES for 3-bromo-4-(4-chlorophenyl)-1,2,5-thiadiazole is Clc1ccc(-c2nsnc2Br)cc1.
What is the InChIKey of 3-bromo-4-(4-chlorophenyl)-1,2,5-thiadiazole?
The InChIKey is DOVCDZMIGWBWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2S/c9-8-7(11-13-12-8)5-1-3-6(10)4-2-5/h1-4H.
What are the key properties of 3-bromo-4-(4-chlorophenyl)-1,2,5-thiadiazole?
3-bromo-4-(4-chlorophenyl)-1,2,5-thiadiazole has a molecular weight of 275.56 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-chlorophenyl)-1,2,5-thiadiazole is sourced from PubChem (CID 15252597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).