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

C11H12N2O2S — CID 134116217

IUPAC2-(3,4-dimethylphenyl)-4-methyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCc1ccc(-n2sc(=O)n(C)c2=O)cc1C
InChIInChI=1S/C11H12N2O2S/c1-7-4-5-9(6-8(7)2)13-10(14)12(3)11(15)16-13/h4-6H,1-3H3
InChIKeyBHOVCHNJSZHKMX-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.21
Rot. Bonds1

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

2-(3,4-dimethylphenyl)-4-methyl-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 134116217) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-4-methyl-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-4-methyl-1,2,4-thiadiazolidine-3,5-dione
PubChem CID134116217
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-(3,4-dimethylphenyl)-4-methyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCc1ccc(-n2sc(=O)n(C)c2=O)cc1C
InChIInChI=1S/C11H12N2O2S/c1-7-4-5-9(6-8(7)2)13-10(14)12(3)11(15)16-13/h4-6H,1-3H3
InChIKeyBHOVCHNJSZHKMX-UHFFFAOYSA-N
XLogP1.21
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-4-methyl-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 2-(3,4-dimethylphenyl)-4-methyl-1,2,4-thiadiazolidine-3,5-dione (CID 134116217) is 2-(3,4-dimethylphenyl)-4-methyl-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-4-methyl-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 2-(3,4-dimethylphenyl)-4-methyl-1,2,4-thiadiazolidine-3,5-dione is Cc1ccc(-n2sc(=O)n(C)c2=O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-4-methyl-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is BHOVCHNJSZHKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-4-5-9(6-8(7)2)13-10(14)12(3)11(15)16-13/h4-6H,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-4-methyl-1,2,4-thiadiazolidine-3,5-dione?
2-(3,4-dimethylphenyl)-4-methyl-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 236.30 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-4-methyl-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 134116217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).