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

C10H10N2O2S — CID 4124851

IUPAC4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCn1sc(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyJDSJDASOXWCHPN-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.66
Rot. Bonds2

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

4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 4124851) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione
PubChem CID4124851
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCn1sc(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyJDSJDASOXWCHPN-UHFFFAOYSA-N
XLogP0.66
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione (CID 4124851) is 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione is Cn1sc(=O)n(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is JDSJDASOXWCHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 222.27 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 4124851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).