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

C14H17N3O2S — CID 82149111

IUPAC2-methyl-3-[4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide
SMILESCc1ccc(C2NC(=O)N(CC(C)C(N)=S)C2=O)cc1
InChIInChI=1S/C14H17N3O2S/c1-8-3-5-10(6-4-8)11-13(18)17(14(19)16-11)7-9(2)12(15)20/h3-6,9,11H,7H2,1-2H3,(H2,15,20)(H,16,19)
InChIKeyLECHQYPKBJZRRH-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.51
Rot. Bonds4

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

2-methyl-3-[4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide (PubChem CID 82149111) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-methyl-3-[4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide.

Molecular Properties

Compound Name2-methyl-3-[4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide
PubChem CID82149111
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-methyl-3-[4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide
SMILESCc1ccc(C2NC(=O)N(CC(C)C(N)=S)C2=O)cc1
InChIInChI=1S/C14H17N3O2S/c1-8-3-5-10(6-4-8)11-13(18)17(14(19)16-11)7-9(2)12(15)20/h3-6,9,11H,7H2,1-2H3,(H2,15,20)(H,16,19)
InChIKeyLECHQYPKBJZRRH-UHFFFAOYSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.51
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

3-(2-aminoethyl)-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 82147805
3-(2-methylpropyl)-5-phenylimidazolidine-2,4-dione
CID 84571226
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571944
3-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile
CID 82148222
ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 75366190
ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 97161621
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292
(5S)-3-[(2R)-2-(4-methylphenyl)propyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 99781661
3-ethyl-5-phenylimidazolidine-2,4-dione;hydrochloride
CID 140541909
3-(2-amino-2-methylpropyl)-5-(4-ethylphenyl)imidazolidine-2,4-dione
CID 82148514
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetohydrazide
CID 84571871
3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 82148999

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide?
The IUPAC name of 2-methyl-3-[4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide (CID 82149111) is 2-methyl-3-[4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide.
What is the SMILES notation for 2-methyl-3-[4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide?
The canonical SMILES for 2-methyl-3-[4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide is Cc1ccc(C2NC(=O)N(CC(C)C(N)=S)C2=O)cc1.
What is the InChIKey of 2-methyl-3-[4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide?
The InChIKey is LECHQYPKBJZRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8-3-5-10(6-4-8)11-13(18)17(14(19)16-11)7-9(2)12(15)20/h3-6,9,11H,7H2,1-2H3,(H2,15,20)(H,16,19).
What are the key properties of 2-methyl-3-[4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide?
2-methyl-3-[4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide has a molecular weight of 291.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide is sourced from PubChem (CID 82149111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).