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

C11H15N3O2S — CID 71975534

IUPAC3-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione
SMILESCC(C)Cc1csc(CN2C(=O)CNC2=O)n1
InChIInChI=1S/C11H15N3O2S/c1-7(2)3-8-6-17-9(13-8)5-14-10(15)4-12-11(14)16/h6-7H,3-5H2,1-2H3,(H,12,16)
InChIKeyUDCNYRXLSVWUSI-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.39
Rot. Bonds4

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

3-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 71975534) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID71975534
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name3-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione
SMILESCC(C)Cc1csc(CN2C(=O)CNC2=O)n1
InChIInChI=1S/C11H15N3O2S/c1-7(2)3-8-6-17-9(13-8)5-14-10(15)4-12-11(14)16/h6-7H,3-5H2,1-2H3,(H,12,16)
InChIKeyUDCNYRXLSVWUSI-UHFFFAOYSA-N
XLogP1.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.39
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 3-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione (CID 71975534) is 3-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione is CC(C)Cc1csc(CN2C(=O)CNC2=O)n1.
What is the InChIKey of 3-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is UDCNYRXLSVWUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7(2)3-8-6-17-9(13-8)5-14-10(15)4-12-11(14)16/h6-7H,3-5H2,1-2H3,(H,12,16).
What are the key properties of 3-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione?
3-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 253.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71975534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).