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

C18H18N2O2S — CID 70926295

IUPAC2,4-bis[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESCc1ccc(Cn2sc(=O)n(Cc3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C18H18N2O2S/c1-13-3-7-15(8-4-13)11-19-17(21)20(23-18(19)22)12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKeyQIMOYQYFRBHNDW-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.78
Rot. Bonds4

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

2,4-bis[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 70926295) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2,4-bis[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name2,4-bis[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
PubChem CID70926295
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2,4-bis[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESCc1ccc(Cn2sc(=O)n(Cc3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C18H18N2O2S/c1-13-3-7-15(8-4-13)11-19-17(21)20(23-18(19)22)12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKeyQIMOYQYFRBHNDW-UHFFFAOYSA-N
XLogP2.78
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 2,4-bis[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione (CID 70926295) is 2,4-bis[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 2,4-bis[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 2,4-bis[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione is Cc1ccc(Cn2sc(=O)n(Cc3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of 2,4-bis[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is QIMOYQYFRBHNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13-3-7-15(8-4-13)11-19-17(21)20(23-18(19)22)12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3.
What are the key properties of 2,4-bis[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
2,4-bis[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 326.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 70926295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).