5-methoxy-5-methyl-1-phenylimidazolidine-2-thione

C11H14N2OS — CID 21185362

IUPAC5-methoxy-5-methyl-1-phenylimidazolidine-2-thione
SMILESCOC1(C)CNC(=S)N1c1ccccc1
InChIInChI=1S/C11H14N2OS/c1-11(14-2)8-12-10(15)13(11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,15)
InChIKeyDIBJBRLFEABTSH-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.74
Rot. Bonds2

About 5-methoxy-5-methyl-1-phenylimidazolidine-2-thione

5-methoxy-5-methyl-1-phenylimidazolidine-2-thione (PubChem CID 21185362) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 5-methoxy-5-methyl-1-phenylimidazolidine-2-thione.

Molecular Properties

Compound Name5-methoxy-5-methyl-1-phenylimidazolidine-2-thione
PubChem CID21185362
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name5-methoxy-5-methyl-1-phenylimidazolidine-2-thione
SMILESCOC1(C)CNC(=S)N1c1ccccc1
InChIInChI=1S/C11H14N2OS/c1-11(14-2)8-12-10(15)13(11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,15)
InChIKeyDIBJBRLFEABTSH-UHFFFAOYSA-N
XLogP1.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-1-phenylimidazolidine-2-thione?
The IUPAC name of 5-methoxy-5-methyl-1-phenylimidazolidine-2-thione (CID 21185362) is 5-methoxy-5-methyl-1-phenylimidazolidine-2-thione.
What is the SMILES notation for 5-methoxy-5-methyl-1-phenylimidazolidine-2-thione?
The canonical SMILES for 5-methoxy-5-methyl-1-phenylimidazolidine-2-thione is COC1(C)CNC(=S)N1c1ccccc1.
What is the InChIKey of 5-methoxy-5-methyl-1-phenylimidazolidine-2-thione?
The InChIKey is DIBJBRLFEABTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-11(14-2)8-12-10(15)13(11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,15).
What are the key properties of 5-methoxy-5-methyl-1-phenylimidazolidine-2-thione?
5-methoxy-5-methyl-1-phenylimidazolidine-2-thione has a molecular weight of 222.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-1-phenylimidazolidine-2-thione is sourced from PubChem (CID 21185362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).