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

C14H10N2O2S — CID 13171483

IUPAC2,4-diphenyl-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C14H10N2O2S/c17-13-15(11-7-3-1-4-8-11)14(18)19-16(13)12-9-5-2-6-10-12/h1-10H
InChIKeyUJEBRSNVLSQUBC-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.05
Rot. Bonds2

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

2,4-diphenyl-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 13171483) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2,4-diphenyl-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name2,4-diphenyl-1,2,4-thiadiazolidine-3,5-dione
PubChem CID13171483
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name2,4-diphenyl-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C14H10N2O2S/c17-13-15(11-7-3-1-4-8-11)14(18)19-16(13)12-9-5-2-6-10-12/h1-10H
InChIKeyUJEBRSNVLSQUBC-UHFFFAOYSA-N
XLogP2.05
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 2,4-diphenyl-1,2,4-thiadiazolidine-3,5-dione (CID 13171483) is 2,4-diphenyl-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 2,4-diphenyl-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 2,4-diphenyl-1,2,4-thiadiazolidine-3,5-dione is O=c1sn(-c2ccccc2)c(=O)n1-c1ccccc1.
What is the InChIKey of 2,4-diphenyl-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is UJEBRSNVLSQUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-13-15(11-7-3-1-4-8-11)14(18)19-16(13)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 2,4-diphenyl-1,2,4-thiadiazolidine-3,5-dione?
2,4-diphenyl-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 270.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 13171483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).