1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4,5-trione

C10H11N3O3S — CID 54962558

IUPAC1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4,5-trione
SMILESCc1nc(C)c(C(C)N2C(=O)NC(=O)C2=O)s1
InChIInChI=1S/C10H11N3O3S/c1-4-7(17-6(3)11-4)5(2)13-9(15)8(14)12-10(13)16/h5H,1-3H3,(H,12,14,16)
InChIKeyIIOLUTWONYKYIS-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.90
Rot. Bonds2

About 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4,5-trione

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4,5-trione (PubChem CID 54962558) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4,5-trione
PubChem CID54962558
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4,5-trione
SMILESCc1nc(C)c(C(C)N2C(=O)NC(=O)C2=O)s1
InChIInChI=1S/C10H11N3O3S/c1-4-7(17-6(3)11-4)5(2)13-9(15)8(14)12-10(13)16/h5H,1-3H3,(H,12,14,16)
InChIKeyIIOLUTWONYKYIS-UHFFFAOYSA-N
XLogP0.90
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.90
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-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4,5-trione (CID 54962558) is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4,5-trione is Cc1nc(C)c(C(C)N2C(=O)NC(=O)C2=O)s1.
What is the InChIKey of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4,5-trione?
The InChIKey is IIOLUTWONYKYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-4-7(17-6(3)11-4)5(2)13-9(15)8(14)12-10(13)16/h5H,1-3H3,(H,12,14,16).
What are the key properties of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4,5-trione?
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4,5-trione has a molecular weight of 253.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 54962558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).