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

C9H8N2O2S — CID 2732733

IUPAC2-methyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCn1sc(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C9H8N2O2S/c1-10-8(12)11(9(13)14-10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyLSXPXEJAKMFTTI-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.60
Rot. Bonds1

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

2-methyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 2732733) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-methyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-methyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione
PubChem CID2732733
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name2-methyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCn1sc(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C9H8N2O2S/c1-10-8(12)11(9(13)14-10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyLSXPXEJAKMFTTI-UHFFFAOYSA-N
XLogP0.60
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 2-methyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione (CID 2732733) is 2-methyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 2-methyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 2-methyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione is Cn1sc(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of 2-methyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is LSXPXEJAKMFTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-10-8(12)11(9(13)14-10)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 2-methyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione?
2-methyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 208.24 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 2732733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).