2-methyl-4-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione

C10H10N2O2S — CID 6539146

IUPAC2-methyl-4-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
SMILESCc1ccc(-n2c(=O)sn(C)c2=O)cc1
InChIInChI=1S/C10H10N2O2S/c1-7-3-5-8(6-4-7)12-9(13)11(2)15-10(12)14/h3-6H,1-2H3
InChIKeyUWPQPPHMFSIYFH-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.91
Rot. Bonds1

About 2-methyl-4-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione

2-methyl-4-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 6539146) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-methyl-4-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-methyl-4-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
PubChem CID6539146
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name2-methyl-4-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
SMILESCc1ccc(-n2c(=O)sn(C)c2=O)cc1
InChIInChI=1S/C10H10N2O2S/c1-7-3-5-8(6-4-7)12-9(13)11(2)15-10(12)14/h3-6H,1-2H3
InChIKeyUWPQPPHMFSIYFH-UHFFFAOYSA-N
XLogP0.91
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 2-methyl-4-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione (CID 6539146) is 2-methyl-4-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 2-methyl-4-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 2-methyl-4-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione is Cc1ccc(-n2c(=O)sn(C)c2=O)cc1.
What is the InChIKey of 2-methyl-4-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is UWPQPPHMFSIYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-7-3-5-8(6-4-7)12-9(13)11(2)15-10(12)14/h3-6H,1-2H3.
What are the key properties of 2-methyl-4-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione?
2-methyl-4-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 222.27 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 6539146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).