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

C16H14N2O2S — CID 6539140

IUPAC2,4-dibenzyl-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-15-17(11-13-7-3-1-4-8-13)16(20)21-18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeySGSVNPJHIDULGL-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.17
Rot. Bonds4

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

2,4-dibenzyl-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 6539140) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2,4-dibenzyl-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name2,4-dibenzyl-1,2,4-thiadiazolidine-3,5-dione
PubChem CID6539140
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2,4-dibenzyl-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-15-17(11-13-7-3-1-4-8-13)16(20)21-18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeySGSVNPJHIDULGL-UHFFFAOYSA-N
XLogP2.17
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tdzd-8
CID 4124851
1,3-Dibenzyl-1,3-diazetidine-2,4-dione
CID 10038543
2,4-Dibenzyl-5-oxothiadiazolidine-3-thione
CID 4677904
4-Benzyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione
CID 6539139
4-Benzyl-2-ethyl-3-sulfanylidene-1,2,4-thiadiazolidin-5-one
CID 6539151
4-Benzyl-2-(4-methyl-benzyl)-[1,2,4]thiadiazolidine-3,5-dione
CID 11536910
2-Butyl-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
CID 25125799
4-Benzyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
CID 70681821
4-[(4-Fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
CID 70683924
2-Ethyl-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
CID 70696508
1-acetyl-3-methyl-4,5-diphenyl-1,3-dihydro-2H-imidazol-2-one
CID 899887
Tribenzyl isocyanurate
CID 11805

Frequently Asked Questions

What is the IUPAC name of 2,4-dibenzyl-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 2,4-dibenzyl-1,2,4-thiadiazolidine-3,5-dione (CID 6539140) is 2,4-dibenzyl-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 2,4-dibenzyl-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 2,4-dibenzyl-1,2,4-thiadiazolidine-3,5-dione is O=c1sn(Cc2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 2,4-dibenzyl-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is SGSVNPJHIDULGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-15-17(11-13-7-3-1-4-8-13)16(20)21-18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 2,4-dibenzyl-1,2,4-thiadiazolidine-3,5-dione?
2,4-dibenzyl-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 298.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibenzyl-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 6539140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).