4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane

C18H20N2O3S — CID 159183792

IUPAC4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane
SMILESC.COc1ccc(Cn2sc(=O)n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C17H16N2O3S.CH4/c1-22-15-9-7-14(8-10-15)12-19-16(20)18(17(21)23-19)11-13-5-3-2-4-6-13;/h2-10H,11-12H2,1H3;1H4
InChIKeyKNFNLXQJKJCFLX-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.81
Rot. Bonds5

About 4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane

4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane (PubChem CID 159183792) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane.

Molecular Properties

Compound Name4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane
PubChem CID159183792
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane
SMILESC.COc1ccc(Cn2sc(=O)n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C17H16N2O3S.CH4/c1-22-15-9-7-14(8-10-15)12-19-16(20)18(17(21)23-19)11-13-5-3-2-4-6-13;/h2-10H,11-12H2,1H3;1H4
InChIKeyKNFNLXQJKJCFLX-UHFFFAOYSA-N
XLogP2.81
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane?
The IUPAC name of 4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane (CID 159183792) is 4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane.
What is the SMILES notation for 4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane?
The canonical SMILES for 4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane is C.COc1ccc(Cn2sc(=O)n(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of 4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane?
The InChIKey is KNFNLXQJKJCFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S.CH4/c1-22-15-9-7-14(8-10-15)12-19-16(20)18(17(21)23-19)11-13-5-3-2-4-6-13;/h2-10H,11-12H2,1H3;1H4.
What are the key properties of 4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane?
4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane has a molecular weight of 344.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane is sourced from PubChem (CID 159183792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).