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

C17H16N2O2S — CID 11536910

IUPAC4-benzyl-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESCc1ccc(Cn2sc(=O)n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C17H16N2O2S/c1-13-7-9-15(10-8-13)12-19-16(20)18(17(21)22-19)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyRNUOODCFIXBGHO-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.48
Rot. Bonds4

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

4-benzyl-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 11536910) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-benzyl-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-benzyl-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
PubChem CID11536910
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name4-benzyl-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESCc1ccc(Cn2sc(=O)n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C17H16N2O2S/c1-13-7-9-15(10-8-13)12-19-16(20)18(17(21)22-19)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeyRNUOODCFIXBGHO-UHFFFAOYSA-N
XLogP2.48
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-benzyl-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione (CID 11536910) is 4-benzyl-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-benzyl-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-benzyl-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione is Cc1ccc(Cn2sc(=O)n(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of 4-benzyl-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is RNUOODCFIXBGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-13-7-9-15(10-8-13)12-19-16(20)18(17(21)22-19)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 4-benzyl-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
4-benzyl-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 312.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 11536910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).