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

C14H8Br2N2S — CID 56837844

IUPAC3,5-bis(2-bromophenyl)-1,2,4-thiadiazole
SMILESBrc1ccccc1-c1nsc(-c2ccccc2Br)n1
InChIInChI=1S/C14H8Br2N2S/c15-11-7-3-1-5-9(11)13-17-14(19-18-13)10-6-2-4-8-12(10)16/h1-8H
InChIKeyGZUZRRCPSISINW-UHFFFAOYSA-N
MW396.11 g/mol
LogP5.40
Rot. Bonds2

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

3,5-bis(2-bromophenyl)-1,2,4-thiadiazole (PubChem CID 56837844) has the molecular formula C14H8Br2N2S and a molecular weight of 396.11 g/mol. Its IUPAC name is 3,5-bis(2-bromophenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,5-bis(2-bromophenyl)-1,2,4-thiadiazole
PubChem CID56837844
Molecular FormulaC14H8Br2N2S
Molecular Weight396.11 g/mol
Exact Mass393.88
IUPAC Name3,5-bis(2-bromophenyl)-1,2,4-thiadiazole
SMILESBrc1ccccc1-c1nsc(-c2ccccc2Br)n1
InChIInChI=1S/C14H8Br2N2S/c15-11-7-3-1-5-9(11)13-17-14(19-18-13)10-6-2-4-8-12(10)16/h1-8H
InChIKeyGZUZRRCPSISINW-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

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-bromophenyl)-1,2,4-thiadiazole?
The IUPAC name of 3,5-bis(2-bromophenyl)-1,2,4-thiadiazole (CID 56837844) is 3,5-bis(2-bromophenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3,5-bis(2-bromophenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3,5-bis(2-bromophenyl)-1,2,4-thiadiazole is Brc1ccccc1-c1nsc(-c2ccccc2Br)n1.
What is the InChIKey of 3,5-bis(2-bromophenyl)-1,2,4-thiadiazole?
The InChIKey is GZUZRRCPSISINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2N2S/c15-11-7-3-1-5-9(11)13-17-14(19-18-13)10-6-2-4-8-12(10)16/h1-8H.
What are the key properties of 3,5-bis(2-bromophenyl)-1,2,4-thiadiazole?
3,5-bis(2-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(2-bromophenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 56837844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).