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

C9H7FN2O2S — CID 3394376

IUPAC4-(4-fluorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCn1sc(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C9H7FN2O2S/c1-11-8(13)12(9(14)15-11)7-4-2-6(10)3-5-7/h2-5H,1H3
InChIKeyYSRWHCMGAXQJDJ-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.74
Rot. Bonds1

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

4-(4-fluorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 3394376) has the molecular formula C9H7FN2O2S and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione
PubChem CID3394376
Molecular FormulaC9H7FN2O2S
Molecular Weight226.23 g/mol
Exact Mass226.02
IUPAC Name4-(4-fluorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione
SMILESCn1sc(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C9H7FN2O2S/c1-11-8(13)12(9(14)15-11)7-4-2-6(10)3-5-7/h2-5H,1H3
InChIKeyYSRWHCMGAXQJDJ-UHFFFAOYSA-N
XLogP0.74
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-fluorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione (CID 3394376) is 4-(4-fluorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione is Cn1sc(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is YSRWHCMGAXQJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2S/c1-11-8(13)12(9(14)15-11)7-4-2-6(10)3-5-7/h2-5H,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione?
4-(4-fluorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 226.23 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 3394376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).