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

C14H9FN2O2S — CID 10356750

IUPAC4-(4-fluorophenyl)-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2ccccc2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C14H9FN2O2S/c15-10-6-8-11(9-7-10)16-13(18)17(20-14(16)19)12-4-2-1-3-5-12/h1-9H
InChIKeyJBRAIZCELARRPY-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.19
Rot. Bonds2

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

4-(4-fluorophenyl)-2-phenyl-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 10356750) has the molecular formula C14H9FN2O2S and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-phenyl-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
PubChem CID10356750
Molecular FormulaC14H9FN2O2S
Molecular Weight288.30 g/mol
Exact Mass288.04
IUPAC Name4-(4-fluorophenyl)-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2ccccc2)c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C14H9FN2O2S/c15-10-6-8-11(9-7-10)16-13(18)17(20-14(16)19)12-4-2-1-3-5-12/h1-9H
InChIKeyJBRAIZCELARRPY-UHFFFAOYSA-N
XLogP2.19
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-phenyl-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-(4-fluorophenyl)-2-phenyl-1,2,4-thiadiazolidine-3,5-dione (CID 10356750) is 4-(4-fluorophenyl)-2-phenyl-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-(4-fluorophenyl)-2-phenyl-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-(4-fluorophenyl)-2-phenyl-1,2,4-thiadiazolidine-3,5-dione is O=c1sn(-c2ccccc2)c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-phenyl-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is JBRAIZCELARRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S/c15-10-6-8-11(9-7-10)16-13(18)17(20-14(16)19)12-4-2-1-3-5-12/h1-9H.
What are the key properties of 4-(4-fluorophenyl)-2-phenyl-1,2,4-thiadiazolidine-3,5-dione?
4-(4-fluorophenyl)-2-phenyl-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 288.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-phenyl-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 10356750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).