(5S)-5-propan-2-yl-3-thiophen-3-ylimidazolidine-2,4-dione

C10H12N2O2S — CID 102323006

IUPAC(5S)-5-propan-2-yl-3-thiophen-3-ylimidazolidine-2,4-dione
SMILESCC(C)[C@@H]1NC(=O)N(c2ccsc2)C1=O
InChIInChI=1S/C10H12N2O2S/c1-6(2)8-9(13)12(10(14)11-8)7-3-4-15-5-7/h3-6,8H,1-2H3,(H,11,14)/t8-/m0/s1
InChIKeySUFZSGJTKWUWSP-QMMMGPOBSA-N
MW224.28 g/mol
LogP1.83
Rot. Bonds2

About (5S)-5-propan-2-yl-3-thiophen-3-ylimidazolidine-2,4-dione

(5S)-5-propan-2-yl-3-thiophen-3-ylimidazolidine-2,4-dione (PubChem CID 102323006) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is (5S)-5-propan-2-yl-3-thiophen-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-propan-2-yl-3-thiophen-3-ylimidazolidine-2,4-dione
PubChem CID102323006
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name(5S)-5-propan-2-yl-3-thiophen-3-ylimidazolidine-2,4-dione
SMILESCC(C)[C@@H]1NC(=O)N(c2ccsc2)C1=O
InChIInChI=1S/C10H12N2O2S/c1-6(2)8-9(13)12(10(14)11-8)7-3-4-15-5-7/h3-6,8H,1-2H3,(H,11,14)/t8-/m0/s1
InChIKeySUFZSGJTKWUWSP-QMMMGPOBSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-propan-2-yl-3-thiophen-3-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-propan-2-yl-3-thiophen-3-ylimidazolidine-2,4-dione (CID 102323006) is (5S)-5-propan-2-yl-3-thiophen-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-propan-2-yl-3-thiophen-3-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-propan-2-yl-3-thiophen-3-ylimidazolidine-2,4-dione is CC(C)[C@@H]1NC(=O)N(c2ccsc2)C1=O.
What is the InChIKey of (5S)-5-propan-2-yl-3-thiophen-3-ylimidazolidine-2,4-dione?
The InChIKey is SUFZSGJTKWUWSP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-6(2)8-9(13)12(10(14)11-8)7-3-4-15-5-7/h3-6,8H,1-2H3,(H,11,14)/t8-/m0/s1.
What are the key properties of (5S)-5-propan-2-yl-3-thiophen-3-ylimidazolidine-2,4-dione?
(5S)-5-propan-2-yl-3-thiophen-3-ylimidazolidine-2,4-dione has a molecular weight of 224.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-propan-2-yl-3-thiophen-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 102323006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).