4-benzyl-1,2,4-thiadiazolidine-3,5-dione

C9H8N2O2S — CID 22507205

IUPAC4-benzyl-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1[nH]sc(=O)n1Cc1ccccc1
InChIInChI=1S/C9H8N2O2S/c12-8-10-14-9(13)11(8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12)
InChIKeyLDGOBWJACIFFFE-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.65
Rot. Bonds2

About 4-benzyl-1,2,4-thiadiazolidine-3,5-dione

4-benzyl-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 22507205) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-benzyl-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-benzyl-1,2,4-thiadiazolidine-3,5-dione
PubChem CID22507205
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name4-benzyl-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1[nH]sc(=O)n1Cc1ccccc1
InChIInChI=1S/C9H8N2O2S/c12-8-10-14-9(13)11(8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12)
InChIKeyLDGOBWJACIFFFE-UHFFFAOYSA-N
XLogP0.65
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver
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1-benzyl-2,5-dichloropyrrole
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3-benzyl-6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 143665036
1,3-dibenzylphenanthro[9,10-d]imidazol-2-one
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3-benzyl-4-fluoro-1H-benzimidazol-2-one
CID 83415339
4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione;methane
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3-benzyl-6-propyl-1H-pyrimidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-benzyl-1,2,4-thiadiazolidine-3,5-dione (CID 22507205) is 4-benzyl-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-benzyl-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-benzyl-1,2,4-thiadiazolidine-3,5-dione is O=c1[nH]sc(=O)n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is LDGOBWJACIFFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c12-8-10-14-9(13)11(8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12).
What are the key properties of 4-benzyl-1,2,4-thiadiazolidine-3,5-dione?
4-benzyl-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 208.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 22507205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).