4-benzyl-2-(2-tert-butyl-6-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione;methane

C21H26N2O2S — CID 160700679

IUPAC4-benzyl-2-(2-tert-butyl-6-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione;methane
SMILESC.Cc1cccc(C(C)(C)C)c1-n1sc(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H22N2O2S.CH4/c1-14-9-8-12-16(20(2,3)4)17(14)22-18(23)21(19(24)25-22)13-15-10-6-5-7-11-15;/h5-12H,13H2,1-4H3;1H4
InChIKeyRQOOPCIBLIAIRM-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.35
Rot. Bonds3

About 4-benzyl-2-(2-tert-butyl-6-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione;methane

4-benzyl-2-(2-tert-butyl-6-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione;methane (PubChem CID 160700679) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 4-benzyl-2-(2-tert-butyl-6-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione;methane.

Molecular Properties

Compound Name4-benzyl-2-(2-tert-butyl-6-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione;methane
PubChem CID160700679
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name4-benzyl-2-(2-tert-butyl-6-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione;methane
SMILESC.Cc1cccc(C(C)(C)C)c1-n1sc(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H22N2O2S.CH4/c1-14-9-8-12-16(20(2,3)4)17(14)22-18(23)21(19(24)25-22)13-15-10-6-5-7-11-15;/h5-12H,13H2,1-4H3;1H4
InChIKeyRQOOPCIBLIAIRM-UHFFFAOYSA-N
XLogP4.35
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione
CID 11313622
4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione;methane
CID 157242048
4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane
CID 159183792
1,3-dibenzyl-6-(2-methylphenyl)pyrimidine-2,4-dione
CID 53375533
4-benzyl-2-prop-2-enyl-1,2,4-thiadiazolidine-3,5-dione
CID 56673933
1-benzyl-7-methyl-3H-indol-2-one
CID 100995763
1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione
CID 11975773
4-butyl-1-(2-tert-butyl-6-methylphenyl)-3-[[6-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 54458184
2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
CID 70925941
2,4-bis[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
CID 70926295
1-[3-tert-butyl-1-[3-[(3,5-dioxo-2-phenyl-1,2,4-thiadiazolidin-4-yl)methyl]phenyl]pyrazol-5-yl]-3-(4-chlorophenyl)urea
CID 18449847
5-benzyl-10-methylphenanthridin-6-one
CID 71505961

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(2-tert-butyl-6-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione;methane?
The IUPAC name of 4-benzyl-2-(2-tert-butyl-6-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione;methane (CID 160700679) is 4-benzyl-2-(2-tert-butyl-6-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione;methane.
What is the SMILES notation for 4-benzyl-2-(2-tert-butyl-6-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione;methane?
The canonical SMILES for 4-benzyl-2-(2-tert-butyl-6-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione;methane is C.Cc1cccc(C(C)(C)C)c1-n1sc(=O)n(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-2-(2-tert-butyl-6-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione;methane?
The InChIKey is RQOOPCIBLIAIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S.CH4/c1-14-9-8-12-16(20(2,3)4)17(14)22-18(23)21(19(24)25-22)13-15-10-6-5-7-11-15;/h5-12H,13H2,1-4H3;1H4.
What are the key properties of 4-benzyl-2-(2-tert-butyl-6-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione;methane?
4-benzyl-2-(2-tert-butyl-6-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione;methane has a molecular weight of 370.52 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(2-tert-butyl-6-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione;methane is sourced from PubChem (CID 160700679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).