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

C17H15FN2O2S — CID 70683924

IUPAC4-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESCc1ccc(Cn2sc(=O)n(Cc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C17H15FN2O2S/c1-12-2-4-14(5-3-12)11-20-16(21)19(17(22)23-20)10-13-6-8-15(18)9-7-13/h2-9H,10-11H2,1H3
InChIKeyMDNJRKBEKQZSRZ-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.62
Rot. Bonds4

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

4-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 70683924) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
PubChem CID70683924
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name4-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESCc1ccc(Cn2sc(=O)n(Cc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C17H15FN2O2S/c1-12-2-4-14(5-3-12)11-20-16(21)19(17(22)23-20)10-13-6-8-15(18)9-7-13/h2-9H,10-11H2,1H3
InChIKeyMDNJRKBEKQZSRZ-UHFFFAOYSA-N
XLogP2.62
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.62
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-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione (CID 70683924) is 4-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione is Cc1ccc(Cn2sc(=O)n(Cc3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is MDNJRKBEKQZSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-12-2-4-14(5-3-12)11-20-16(21)19(17(22)23-20)10-13-6-8-15(18)9-7-13/h2-9H,10-11H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
4-[(4-fluorophenyl)methyl]-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 330.38 g/mol, XLogP of 2.62, 4 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-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 70683924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).