4-benzyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione

C11H12N2O2S — CID 6539139

IUPAC4-benzyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCCn1sc(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C11H12N2O2S/c1-2-13-10(14)12(11(15)16-13)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyVNCNRIGKOMHMLM-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.14
Rot. Bonds3

About 4-benzyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione

4-benzyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 6539139) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-benzyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-benzyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione
PubChem CID6539139
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name4-benzyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCCn1sc(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C11H12N2O2S/c1-2-13-10(14)12(11(15)16-13)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyVNCNRIGKOMHMLM-UHFFFAOYSA-N
XLogP1.14
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-benzyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione (CID 6539139) is 4-benzyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-benzyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-benzyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione is CCn1sc(=O)n(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is VNCNRIGKOMHMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-2-13-10(14)12(11(15)16-13)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of 4-benzyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione?
4-benzyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 236.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 6539139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).