2-methyl-3-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide

C11H19N3O2S — CID 82149112

IUPAC2-methyl-3-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide
SMILESCC(C)CC1NC(=O)N(CC(C)C(N)=S)C1=O
InChIInChI=1S/C11H19N3O2S/c1-6(2)4-8-10(15)14(11(16)13-8)5-7(3)9(12)17/h6-8H,4-5H2,1-3H3,(H2,12,17)(H,13,16)
InChIKeyLMJRWALIXTVJIM-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.88
Rot. Bonds5

About 2-methyl-3-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide

2-methyl-3-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide (PubChem CID 82149112) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-methyl-3-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide.

Molecular Properties

Compound Name2-methyl-3-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide
PubChem CID82149112
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-methyl-3-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide
SMILESCC(C)CC1NC(=O)N(CC(C)C(N)=S)C1=O
InChIInChI=1S/C11H19N3O2S/c1-6(2)4-8-10(15)14(11(16)13-8)5-7(3)9(12)17/h6-8H,4-5H2,1-3H3,(H2,12,17)(H,13,16)
InChIKeyLMJRWALIXTVJIM-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide
CID 82149111
4-[[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 40988261
3-cyclobutyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 115927918
N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2604804
3-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 51222984
5-ethyl-3-[(2S)-2-hydroxypropyl]imidazolidine-2,4-dione
CID 131041674
(5S)-3-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2604902
(5S)-3-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570548
(5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 6601758
(5R)-3-[(2R)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570526
(5S)-3-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 31570523
(5S)-3-[[cyclohexyl(methyl)amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 41411898

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide?
The IUPAC name of 2-methyl-3-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide (CID 82149112) is 2-methyl-3-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide.
What is the SMILES notation for 2-methyl-3-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide?
The canonical SMILES for 2-methyl-3-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide is CC(C)CC1NC(=O)N(CC(C)C(N)=S)C1=O.
What is the InChIKey of 2-methyl-3-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide?
The InChIKey is LMJRWALIXTVJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-6(2)4-8-10(15)14(11(16)13-8)5-7(3)9(12)17/h6-8H,4-5H2,1-3H3,(H2,12,17)(H,13,16).
What are the key properties of 2-methyl-3-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide?
2-methyl-3-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide has a molecular weight of 257.36 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide is sourced from PubChem (CID 82149112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).