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

C15H11FN2O2S — CID 70694433

IUPAC4-[(4-fluorophenyl)methyl]-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2ccccc2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H11FN2O2S/c16-12-8-6-11(7-9-12)10-17-14(19)18(21-15(17)20)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyVDFKKKDWEPXCEL-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.25
Rot. Bonds3

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

4-[(4-fluorophenyl)methyl]-2-phenyl-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 70694433) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2-phenyl-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
PubChem CID70694433
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name4-[(4-fluorophenyl)methyl]-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2ccccc2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H11FN2O2S/c16-12-8-6-11(7-9-12)10-17-14(19)18(21-15(17)20)13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyVDFKKKDWEPXCEL-UHFFFAOYSA-N
XLogP2.25
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-2-phenyl-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2-phenyl-1,2,4-thiadiazolidine-3,5-dione (CID 70694433) is 4-[(4-fluorophenyl)methyl]-2-phenyl-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2-phenyl-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2-phenyl-1,2,4-thiadiazolidine-3,5-dione is O=c1sn(-c2ccccc2)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2-phenyl-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is VDFKKKDWEPXCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-12-8-6-11(7-9-12)10-17-14(19)18(21-15(17)20)13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-2-phenyl-1,2,4-thiadiazolidine-3,5-dione?
4-[(4-fluorophenyl)methyl]-2-phenyl-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 302.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-2-phenyl-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 70694433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).