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

C10H10N2O2S — CID 6539174

IUPAC2-ethyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCCn1sc(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C10H10N2O2S/c1-2-11-9(13)12(10(14)15-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyXXSGUVAYNNBBFW-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.08
Rot. Bonds2

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

2-ethyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 6539174) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-ethyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-ethyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione
PubChem CID6539174
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name2-ethyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCCn1sc(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C10H10N2O2S/c1-2-11-9(13)12(10(14)15-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyXXSGUVAYNNBBFW-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 2-ethyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione (CID 6539174) is 2-ethyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 2-ethyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 2-ethyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione is CCn1sc(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of 2-ethyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is XXSGUVAYNNBBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-2-11-9(13)12(10(14)15-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of 2-ethyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione?
2-ethyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 222.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 6539174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).