3-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)propanethioamide

C10H17N3O2S — CID 82148892

IUPAC3-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)propanethioamide
SMILESCC(C)C1(C)NC(=O)N(CCC(N)=S)C1=O
InChIInChI=1S/C10H17N3O2S/c1-6(2)10(3)8(14)13(9(15)12-10)5-4-7(11)16/h6H,4-5H2,1-3H3,(H2,11,16)(H,12,15)
InChIKeySDLIHRUGWFDAAT-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.63
Rot. Bonds4

About 3-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)propanethioamide

3-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)propanethioamide (PubChem CID 82148892) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)propanethioamide.

Molecular Properties

Compound Name3-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)propanethioamide
PubChem CID82148892
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)propanethioamide
SMILESCC(C)C1(C)NC(=O)N(CCC(N)=S)C1=O
InChIInChI=1S/C10H17N3O2S/c1-6(2)10(3)8(14)13(9(15)12-10)5-4-7(11)16/h6H,4-5H2,1-3H3,(H2,11,16)(H,12,15)
InChIKeySDLIHRUGWFDAAT-UHFFFAOYSA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.63
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-(3-aminopropyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 82147926
3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 82148488
3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 82149162
3-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)propanethioamide
CID 28824690
(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 124881230
propan-2-yl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 112722968
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2,2-dimethylbutanethioamide
CID 65248645
(5S)-3-[(2S)-2-hydroxy-3-phenoxypropyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94389915
(5R)-3-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94389930
(5S)-3-[(3-fluorophenyl)methyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 94191065
N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylacetamide
CID 43290764
3-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)propanethioamide
CID 82148895

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)propanethioamide?
The IUPAC name of 3-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)propanethioamide (CID 82148892) is 3-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)propanethioamide.
What is the SMILES notation for 3-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)propanethioamide?
The canonical SMILES for 3-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)propanethioamide is CC(C)C1(C)NC(=O)N(CCC(N)=S)C1=O.
What is the InChIKey of 3-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)propanethioamide?
The InChIKey is SDLIHRUGWFDAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-6(2)10(3)8(14)13(9(15)12-10)5-4-7(11)16/h6H,4-5H2,1-3H3,(H2,11,16)(H,12,15).
What are the key properties of 3-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)propanethioamide?
3-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)propanethioamide has a molecular weight of 243.33 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)propanethioamide is sourced from PubChem (CID 82148892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).