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

C17H16N2O2S — CID 70683932

IUPAC2-(4-methylphenyl)-4-[(3-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESCc1ccc(-n2sc(=O)n(Cc3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C17H16N2O2S/c1-12-6-8-15(9-7-12)19-16(20)18(17(21)22-19)11-14-5-3-4-13(2)10-14/h3-10H,11H2,1-2H3
InChIKeyBJERQIKZLIQVSI-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.73
Rot. Bonds3

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

2-(4-methylphenyl)-4-[(3-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 70683932) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-[(3-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-[(3-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
PubChem CID70683932
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2-(4-methylphenyl)-4-[(3-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESCc1ccc(-n2sc(=O)n(Cc3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C17H16N2O2S/c1-12-6-8-15(9-7-12)19-16(20)18(17(21)22-19)11-14-5-3-4-13(2)10-14/h3-10H,11H2,1-2H3
InChIKeyBJERQIKZLIQVSI-UHFFFAOYSA-N
XLogP2.73
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-[(3-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 2-(4-methylphenyl)-4-[(3-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione (CID 70683932) is 2-(4-methylphenyl)-4-[(3-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 2-(4-methylphenyl)-4-[(3-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 2-(4-methylphenyl)-4-[(3-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione is Cc1ccc(-n2sc(=O)n(Cc3cccc(C)c3)c2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-[(3-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is BJERQIKZLIQVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12-6-8-15(9-7-12)19-16(20)18(17(21)22-19)11-14-5-3-4-13(2)10-14/h3-10H,11H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-4-[(3-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
2-(4-methylphenyl)-4-[(3-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 312.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-[(3-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 70683932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).