3,5-dibenzyl-1,2,4-thiadiazole

C16H14N2S — CID 13437152

IUPAC3,5-dibenzyl-1,2,4-thiadiazole
SMILESc1ccc(Cc2nsc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C16H14N2S/c1-3-7-13(8-4-1)11-15-17-16(19-18-15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeySXDCCVHXGHGELN-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.72
Rot. Bonds4

About 3,5-dibenzyl-1,2,4-thiadiazole

3,5-dibenzyl-1,2,4-thiadiazole (PubChem CID 13437152) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3,5-dibenzyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,5-dibenzyl-1,2,4-thiadiazole
PubChem CID13437152
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name3,5-dibenzyl-1,2,4-thiadiazole
SMILESc1ccc(Cc2nsc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C16H14N2S/c1-3-7-13(8-4-1)11-15-17-16(19-18-15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeySXDCCVHXGHGELN-UHFFFAOYSA-N
XLogP3.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibenzyl-1,2,4-thiadiazole?
The IUPAC name of 3,5-dibenzyl-1,2,4-thiadiazole (CID 13437152) is 3,5-dibenzyl-1,2,4-thiadiazole.
What is the SMILES notation for 3,5-dibenzyl-1,2,4-thiadiazole?
The canonical SMILES for 3,5-dibenzyl-1,2,4-thiadiazole is c1ccc(Cc2nsc(Cc3ccccc3)n2)cc1.
What is the InChIKey of 3,5-dibenzyl-1,2,4-thiadiazole?
The InChIKey is SXDCCVHXGHGELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-3-7-13(8-4-1)11-15-17-16(19-18-15)12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 3,5-dibenzyl-1,2,4-thiadiazole?
3,5-dibenzyl-1,2,4-thiadiazole has a molecular weight of 266.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibenzyl-1,2,4-thiadiazole is sourced from PubChem (CID 13437152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).