(5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione

C10H12N2O2S — CID 92591093

IUPAC(5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCCN1C(=O)N[C@](C)(c2cccs2)C1=O
InChIInChI=1S/C10H12N2O2S/c1-3-12-8(13)10(2,11-9(12)14)7-5-4-6-15-7/h4-6H,3H2,1-2H3,(H,11,14)/t10-/m1/s1
InChIKeyXMEZHOFMVQPJBO-SNVBAGLBSA-N
MW224.28 g/mol
LogP1.53
Rot. Bonds2

About (5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione

(5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 92591093) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is (5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID92591093
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name(5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCCN1C(=O)N[C@](C)(c2cccs2)C1=O
InChIInChI=1S/C10H12N2O2S/c1-3-12-8(13)10(2,11-9(12)14)7-5-4-6-15-7/h4-6H,3H2,1-2H3,(H,11,14)/t10-/m1/s1
InChIKeyXMEZHOFMVQPJBO-SNVBAGLBSA-N
XLogP1.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-methyl-3-(2-methylpropyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92579088
(5S)-3-benzyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51592541
(5S)-5-methyl-3-(3-methylbutyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 95142893
(5S)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 92582836
2-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)-N-pentylacetamide
CID 51288708
2-[(4S)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 94510412
(5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 41074060
3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288617
(5R)-3-[2-(2-methoxyphenoxy)ethyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
CID 94184499
N-(4-fluorophenyl)-3-[(4S)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide
CID 52514635
N-(4-fluorophenyl)-3-(4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl)propanamide
CID 51128509
N-(4-fluorophenyl)-3-[(4R)-4-methyl-2,5-dioxo-4-thiophen-2-ylimidazolidin-1-yl]propanamide
CID 52514634

Frequently Asked Questions

What is the IUPAC name of (5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione (CID 92591093) is (5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione is CCN1C(=O)N[C@](C)(c2cccs2)C1=O.
What is the InChIKey of (5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is XMEZHOFMVQPJBO-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-3-12-8(13)10(2,11-9(12)14)7-5-4-6-15-7/h4-6H,3H2,1-2H3,(H,11,14)/t10-/m1/s1.
What are the key properties of (5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
(5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 224.28 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-ethyl-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 92591093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).