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

C15H9Cl2FN2O2S — CID 70686055

IUPAC2-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H9Cl2FN2O2S/c16-12-6-5-11(7-13(12)17)20-14(21)19(15(22)23-20)8-9-1-3-10(18)4-2-9/h1-7H,8H2
InChIKeyGFUQZQXDEYBRDC-UHFFFAOYSA-N
MW371.22 g/mol
LogP3.55
Rot. Bonds3

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

2-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 70686055) has the molecular formula C15H9Cl2FN2O2S and a molecular weight of 371.22 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
PubChem CID70686055
Molecular FormulaC15H9Cl2FN2O2S
Molecular Weight371.22 g/mol
Exact Mass369.97
IUPAC Name2-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C15H9Cl2FN2O2S/c16-12-6-5-11(7-13(12)17)20-14(21)19(15(22)23-20)8-9-1-3-10(18)4-2-9/h1-7H,8H2
InChIKeyGFUQZQXDEYBRDC-UHFFFAOYSA-N
XLogP3.55
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione (CID 70686055) is 2-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione is O=c1sn(-c2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is GFUQZQXDEYBRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2O2S/c16-12-6-5-11(7-13(12)17)20-14(21)19(15(22)23-20)8-9-1-3-10(18)4-2-9/h1-7H,8H2.
What are the key properties of 2-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
2-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 371.22 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 70686055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).