4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione;methane

C18H20N2O2S — CID 157242048

IUPAC4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione;methane
SMILESC.O=c1sn(CCc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C17H16N2O2S.CH4/c20-16-18(13-15-9-5-2-6-10-15)17(21)22-19(16)12-11-14-7-3-1-4-8-14;/h1-10H,11-13H2;1H4
InChIKeyAVIFQRWTXRXSLF-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.00
Rot. Bonds5

About 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione;methane

4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione;methane (PubChem CID 157242048) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione;methane.

Molecular Properties

Compound Name4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione;methane
PubChem CID157242048
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione;methane
SMILESC.O=c1sn(CCc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C17H16N2O2S.CH4/c20-16-18(13-15-9-5-2-6-10-15)17(21)22-19(16)12-11-14-7-3-1-4-8-14;/h1-10H,11-13H2;1H4
InChIKeyAVIFQRWTXRXSLF-UHFFFAOYSA-N
XLogP3.00
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-2-prop-2-enyl-1,2,4-thiadiazolidine-3,5-dione
CID 56673933
4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane
CID 159183792
(E)-4-(4-benzyl-3,5-dioxo-1,2,4-thiadiazolidin-2-yl)but-2-enoic acid
CID 129085024
4-benzyl-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,2,4-thiadiazolidine-3,5-dione
CID 175340207
2,4-bis[(4-methylphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
CID 70926295
4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione
CID 11313622
tert-butyl 2-[4-(4-benzyl-3,5-dioxo-1,2,4-thiadiazolidin-2-yl)butyl-methylamino]acetate
CID 175441844
sodium 4-[[2-(2-chloroethyl)-3,5-dioxo-1,2,4-thiadiazolidin-4-yl]methyl]benzoate
CID 56667020
4-[(4-bromophenyl)methyl]-2-ethyl-1,2,4-thiadiazolidine-3,5-dione
CID 171616643
2,4-dibenzyl-5-benzylimino-1,2,4-thiadiazolidin-3-one
CID 12896086
4-benzyl-2-(2-tert-butyl-6-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione;methane
CID 160700679
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione;methane?
The IUPAC name of 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione;methane (CID 157242048) is 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione;methane.
What is the SMILES notation for 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione;methane?
The canonical SMILES for 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione;methane is C.O=c1sn(CCc2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione;methane?
The InChIKey is AVIFQRWTXRXSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S.CH4/c20-16-18(13-15-9-5-2-6-10-15)17(21)22-19(16)12-11-14-7-3-1-4-8-14;/h1-10H,11-13H2;1H4.
What are the key properties of 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione;methane?
4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione;methane has a molecular weight of 328.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione;methane is sourced from PubChem (CID 157242048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).