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

C15H12N2O2S — CID 70681821

IUPAC4-benzyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C15H12N2O2S/c18-14-16(11-12-7-3-1-4-8-12)15(19)20-17(14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyDQZXYBWDQNXAPY-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.11
Rot. Bonds3

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

4-benzyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 70681821) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-benzyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-benzyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
PubChem CID70681821
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name4-benzyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C15H12N2O2S/c18-14-16(11-12-7-3-1-4-8-12)15(19)20-17(14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyDQZXYBWDQNXAPY-UHFFFAOYSA-N
XLogP2.11
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-benzyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione (CID 70681821) is 4-benzyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-benzyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-benzyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione is O=c1sn(-c2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is DQZXYBWDQNXAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-14-16(11-12-7-3-1-4-8-12)15(19)20-17(14)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 4-benzyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione?
4-benzyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 284.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 70681821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).