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

C10H11N3O3S — CID 54960351

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione
SMILESCC(C)(C)c1csc(N2C(=O)NC(=O)C2=O)n1
InChIInChI=1S/C10H11N3O3S/c1-10(2,3)5-4-17-9(11-5)13-7(15)6(14)12-8(13)16/h4H,1-3H3,(H,12,14,16)
InChIKeyURSUOAYIZFEKOK-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.02
Rot. Bonds1

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

1-(4-tert-butyl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione (PubChem CID 54960351) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione
PubChem CID54960351
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione
SMILESCC(C)(C)c1csc(N2C(=O)NC(=O)C2=O)n1
InChIInChI=1S/C10H11N3O3S/c1-10(2,3)5-4-17-9(11-5)13-7(15)6(14)12-8(13)16/h4H,1-3H3,(H,12,14,16)
InChIKeyURSUOAYIZFEKOK-UHFFFAOYSA-N
XLogP1.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.02
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-tert-butyl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione (CID 54960351) is 1-(4-tert-butyl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione is CC(C)(C)c1csc(N2C(=O)NC(=O)C2=O)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione?
The InChIKey is URSUOAYIZFEKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-10(2,3)5-4-17-9(11-5)13-7(15)6(14)12-8(13)16/h4H,1-3H3,(H,12,14,16).
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione?
1-(4-tert-butyl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione has a molecular weight of 253.28 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 54960351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).