1-[4-(2-methylpropyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione

C10H13N3O2S — CID 3060454

IUPAC1-[4-(2-methylpropyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione
SMILESCC(C)Cc1csc(N2CC(=O)NC2=O)n1
InChIInChI=1S/C10H13N3O2S/c1-6(2)3-7-5-16-10(11-7)13-4-8(14)12-9(13)15/h5-6H,3-4H2,1-2H3,(H,12,14,15)
InChIKeyQRAOMGJSBBQSHH-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.40
Rot. Bonds3

About 1-[4-(2-methylpropyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione

1-[4-(2-methylpropyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione (PubChem CID 3060454) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione
PubChem CID3060454
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name1-[4-(2-methylpropyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione
SMILESCC(C)Cc1csc(N2CC(=O)NC2=O)n1
InChIInChI=1S/C10H13N3O2S/c1-6(2)3-7-5-16-10(11-7)13-4-8(14)12-9(13)15/h5-6H,3-4H2,1-2H3,(H,12,14,15)
InChIKeyQRAOMGJSBBQSHH-UHFFFAOYSA-N
XLogP1.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 1-[4-(2-methylpropyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione (CID 3060454) is 1-[4-(2-methylpropyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-(2-methylpropyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[4-(2-methylpropyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione is CC(C)Cc1csc(N2CC(=O)NC2=O)n1.
What is the InChIKey of 1-[4-(2-methylpropyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione?
The InChIKey is QRAOMGJSBBQSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-6(2)3-7-5-16-10(11-7)13-4-8(14)12-9(13)15/h5-6H,3-4H2,1-2H3,(H,12,14,15).
What are the key properties of 1-[4-(2-methylpropyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione?
1-[4-(2-methylpropyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione has a molecular weight of 239.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)-1,3-thiazol-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 3060454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).