3,5-bis(3-bromophenyl)-1,2,4-thiadiazole

C14H8Br2N2S — CID 11784241

IUPAC3,5-bis(3-bromophenyl)-1,2,4-thiadiazole
SMILESBrc1cccc(-c2nsc(-c3cccc(Br)c3)n2)c1
InChIInChI=1S/C14H8Br2N2S/c15-11-5-1-3-9(7-11)13-17-14(19-18-13)10-4-2-6-12(16)8-10/h1-8H
InChIKeyYBTWNEJNSBOKLJ-UHFFFAOYSA-N
MW396.11 g/mol
LogP5.40
Rot. Bonds2

About 3,5-bis(3-bromophenyl)-1,2,4-thiadiazole

3,5-bis(3-bromophenyl)-1,2,4-thiadiazole (PubChem CID 11784241) has the molecular formula C14H8Br2N2S and a molecular weight of 396.11 g/mol. Its IUPAC name is 3,5-bis(3-bromophenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,5-bis(3-bromophenyl)-1,2,4-thiadiazole
PubChem CID11784241
Molecular FormulaC14H8Br2N2S
Molecular Weight396.11 g/mol
Exact Mass393.88
IUPAC Name3,5-bis(3-bromophenyl)-1,2,4-thiadiazole
SMILESBrc1cccc(-c2nsc(-c3cccc(Br)c3)n2)c1
InChIInChI=1S/C14H8Br2N2S/c15-11-5-1-3-9(7-11)13-17-14(19-18-13)10-4-2-6-12(16)8-10/h1-8H
InChIKeyYBTWNEJNSBOKLJ-UHFFFAOYSA-N
XLogP5.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.11
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5-bis(3-bromophenyl)-1,2,4-thiadiazole 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

1,2,4-Thiadiazole, 3,5-diphenyl-
CID 165184
3,5-Bis(3-methylphenyl)-1,2,4-thiadiazole
CID 12846880
3,5-Bis(4-fluorophenyl)-1,2,4-thiadiazole
CID 46834487
3,5-Bis(2-iodophenyl)-1,2,4-thiadiazole
CID 54756790
3,5-Bis(4-bromo-2-methylphenyl)-1,2,4-thiadiazole
CID 57390181
5-(2-Fluorophenyl)-3-phenyl-1,2,4-thiadiazole
CID 71454338
3,5-Bis(3-fluorophenyl)-1,2,4-thiadiazole
CID 57393684
3,5-Bis(4-methylphenyl)-1,2,4-thiadiazole
CID 5121919
3,5-Bis(4-bromophenyl)-1,2,4-thiadiazole
CID 15485639
3,5-Bis(2-bromophenyl)-1,2,4-thiadiazole
CID 56837844
3,5-Bis(2-fluorophenyl)-1,2,4-thiadiazole
CID 56837845
3,5-Bis(3-iodophenyl)-1,2,4-thiadiazole
CID 57400626

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-bromophenyl)-1,2,4-thiadiazole?
The IUPAC name of 3,5-bis(3-bromophenyl)-1,2,4-thiadiazole (CID 11784241) is 3,5-bis(3-bromophenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3,5-bis(3-bromophenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3,5-bis(3-bromophenyl)-1,2,4-thiadiazole is Brc1cccc(-c2nsc(-c3cccc(Br)c3)n2)c1.
What is the InChIKey of 3,5-bis(3-bromophenyl)-1,2,4-thiadiazole?
The InChIKey is YBTWNEJNSBOKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2N2S/c15-11-5-1-3-9(7-11)13-17-14(19-18-13)10-4-2-6-12(16)8-10/h1-8H.
What are the key properties of 3,5-bis(3-bromophenyl)-1,2,4-thiadiazole?
3,5-bis(3-bromophenyl)-1,2,4-thiadiazole has a molecular weight of 396.11 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3-bromophenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 11784241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).