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

C16H10F4N2O2S — CID 70692374

IUPAC4-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2cccc(C(F)(F)F)c2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H10F4N2O2S/c17-12-6-4-10(5-7-12)9-21-14(23)22(25-15(21)24)13-3-1-2-11(8-13)16(18,19)20/h1-8H,9H2
InChIKeyLALWIWMPVDDDKI-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.27
Rot. Bonds3

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

4-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 70692374) has the molecular formula C16H10F4N2O2S and a molecular weight of 370.33 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione
PubChem CID70692374
Molecular FormulaC16H10F4N2O2S
Molecular Weight370.33 g/mol
Exact Mass370.04
IUPAC Name4-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2cccc(C(F)(F)F)c2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H10F4N2O2S/c17-12-6-4-10(5-7-12)9-21-14(23)22(25-15(21)24)13-3-1-2-11(8-13)16(18,19)20/h1-8H,9H2
InChIKeyLALWIWMPVDDDKI-UHFFFAOYSA-N
XLogP3.27
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.27
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-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione (CID 70692374) is 4-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione is O=c1sn(-c2cccc(C(F)(F)F)c2)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is LALWIWMPVDDDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O2S/c17-12-6-4-10(5-7-12)9-21-14(23)22(25-15(21)24)13-3-1-2-11(8-13)16(18,19)20/h1-8H,9H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione?
4-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 370.33 g/mol, XLogP of 3.27, 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-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 70692374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).