1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione

C9H9N3O3S — CID 61482587

IUPAC1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione
SMILESCC(C)c1csc(N2C(=O)NC(=O)C2=O)n1
InChIInChI=1S/C9H9N3O3S/c1-4(2)5-3-16-9(10-5)12-7(14)6(13)11-8(12)15/h3-4H,1-2H3,(H,11,13,15)
InChIKeySYTARJXHQYPEOH-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.85
Rot. Bonds2

About 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione

1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione (PubChem CID 61482587) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione
PubChem CID61482587
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione
SMILESCC(C)c1csc(N2C(=O)NC(=O)C2=O)n1
InChIInChI=1S/C9H9N3O3S/c1-4(2)5-3-16-9(10-5)12-7(14)6(13)11-8(12)15/h3-4H,1-2H3,(H,11,13,15)
InChIKeySYTARJXHQYPEOH-UHFFFAOYSA-N
XLogP0.85
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione (CID 61482587) is 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione is CC(C)c1csc(N2C(=O)NC(=O)C2=O)n1.
What is the InChIKey of 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione?
The InChIKey is SYTARJXHQYPEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c1-4(2)5-3-16-9(10-5)12-7(14)6(13)11-8(12)15/h3-4H,1-2H3,(H,11,13,15).
What are the key properties of 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione?
1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione has a molecular weight of 239.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 61482587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).