2-benzyl-5-ethylsulfonyl-1,3,4-thiadiazole

C11H12N2O2S2 — CID 121220124

IUPAC2-benzyl-5-ethylsulfonyl-1,3,4-thiadiazole
SMILESCCS(=O)(=O)c1nnc(Cc2ccccc2)s1
InChIInChI=1S/C11H12N2O2S2/c1-2-17(14,15)11-13-12-10(16-11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyLZDYQHUUOWOOTD-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.92
Rot. Bonds4

About 2-benzyl-5-ethylsulfonyl-1,3,4-thiadiazole

2-benzyl-5-ethylsulfonyl-1,3,4-thiadiazole (PubChem CID 121220124) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-benzyl-5-ethylsulfonyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-benzyl-5-ethylsulfonyl-1,3,4-thiadiazole
PubChem CID121220124
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name2-benzyl-5-ethylsulfonyl-1,3,4-thiadiazole
SMILESCCS(=O)(=O)c1nnc(Cc2ccccc2)s1
InChIInChI=1S/C11H12N2O2S2/c1-2-17(14,15)11-13-12-10(16-11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyLZDYQHUUOWOOTD-UHFFFAOYSA-N
XLogP1.92
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-ethylsulfonyl-1,3,4-thiadiazole?
The IUPAC name of 2-benzyl-5-ethylsulfonyl-1,3,4-thiadiazole (CID 121220124) is 2-benzyl-5-ethylsulfonyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-benzyl-5-ethylsulfonyl-1,3,4-thiadiazole?
The canonical SMILES for 2-benzyl-5-ethylsulfonyl-1,3,4-thiadiazole is CCS(=O)(=O)c1nnc(Cc2ccccc2)s1.
What is the InChIKey of 2-benzyl-5-ethylsulfonyl-1,3,4-thiadiazole?
The InChIKey is LZDYQHUUOWOOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-2-17(14,15)11-13-12-10(16-11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of 2-benzyl-5-ethylsulfonyl-1,3,4-thiadiazole?
2-benzyl-5-ethylsulfonyl-1,3,4-thiadiazole has a molecular weight of 268.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-ethylsulfonyl-1,3,4-thiadiazole is sourced from PubChem (CID 121220124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).