5,5-dimethyl-3-[2-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylethyl]imidazolidine-2,4-dione

C12H18N4O3S — CID 94192945

IUPAC5,5-dimethyl-3-[2-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylethyl]imidazolidine-2,4-dione
SMILESCc1noc([C@@H](C)SCCN2C(=O)NC(C)(C)C2=O)n1
InChIInChI=1S/C12H18N4O3S/c1-7(9-13-8(2)15-19-9)20-6-5-16-10(17)12(3,4)14-11(16)18/h7H,5-6H2,1-4H3,(H,14,18)/t7-/m1/s1
InChIKeyHOZTTWHLECNNQE-SSDOTTSWSA-N
MW298.37 g/mol
LogP1.50
Rot. Bonds5

About 5,5-dimethyl-3-[2-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylethyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[2-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylethyl]imidazolidine-2,4-dione (PubChem CID 94192945) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylethyl]imidazolidine-2,4-dione
PubChem CID94192945
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name5,5-dimethyl-3-[2-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylethyl]imidazolidine-2,4-dione
SMILESCc1noc([C@@H](C)SCCN2C(=O)NC(C)(C)C2=O)n1
InChIInChI=1S/C12H18N4O3S/c1-7(9-13-8(2)15-19-9)20-6-5-16-10(17)12(3,4)14-11(16)18/h7H,5-6H2,1-4H3,(H,14,18)/t7-/m1/s1
InChIKeyHOZTTWHLECNNQE-SSDOTTSWSA-N
XLogP1.50
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 38638293
5,5-dimethyl-3-(2-pyridin-2-ylsulfanylethyl)imidazolidine-2,4-dione
CID 35358202
butyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium
CID 158812623
(2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid
CID 107773127
3-[2-[(E)-but-2-enyl]sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 75407166
3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
CID 75399494
3-(2-aminoethyl)-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 14008501
3-[2-(4-amino-2-methylphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43302894
3-[2-(1-ethylimidazol-2-yl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 38662711
5,5-dimethyl-3-[2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 125169620
3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
CID 95579086
N-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide
CID 51088829

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylethyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylethyl]imidazolidine-2,4-dione (CID 94192945) is 5,5-dimethyl-3-[2-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylethyl]imidazolidine-2,4-dione is Cc1noc([C@@H](C)SCCN2C(=O)NC(C)(C)C2=O)n1.
What is the InChIKey of 5,5-dimethyl-3-[2-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylethyl]imidazolidine-2,4-dione?
The InChIKey is HOZTTWHLECNNQE-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-7(9-13-8(2)15-19-9)20-6-5-16-10(17)12(3,4)14-11(16)18/h7H,5-6H2,1-4H3,(H,14,18)/t7-/m1/s1.
What are the key properties of 5,5-dimethyl-3-[2-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylethyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[2-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylethyl]imidazolidine-2,4-dione has a molecular weight of 298.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 94192945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).