5-[4-(dimethylamino)phenyl]-1-ethylimidazolidine-2-thione

C13H19N3S — CID 10538598

IUPAC5-[4-(dimethylamino)phenyl]-1-ethylimidazolidine-2-thione
SMILESCCN1C(=S)NCC1c1ccc(N(C)C)cc1
InChIInChI=1S/C13H19N3S/c1-4-16-12(9-14-13(16)17)10-5-7-11(8-6-10)15(2)3/h5-8,12H,4,9H2,1-3H3,(H,14,17)
InChIKeyQPXJXOYHVMIYRG-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.00
Rot. Bonds3

About 5-[4-(dimethylamino)phenyl]-1-ethylimidazolidine-2-thione

5-[4-(dimethylamino)phenyl]-1-ethylimidazolidine-2-thione (PubChem CID 10538598) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-1-ethylimidazolidine-2-thione.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-1-ethylimidazolidine-2-thione
PubChem CID10538598
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name5-[4-(dimethylamino)phenyl]-1-ethylimidazolidine-2-thione
SMILESCCN1C(=S)NCC1c1ccc(N(C)C)cc1
InChIInChI=1S/C13H19N3S/c1-4-16-12(9-14-13(16)17)10-5-7-11(8-6-10)15(2)3/h5-8,12H,4,9H2,1-3H3,(H,14,17)
InChIKeyQPXJXOYHVMIYRG-UHFFFAOYSA-N
XLogP2.00
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-1-ethylimidazolidine-2-thione?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-1-ethylimidazolidine-2-thione (CID 10538598) is 5-[4-(dimethylamino)phenyl]-1-ethylimidazolidine-2-thione.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-1-ethylimidazolidine-2-thione?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-1-ethylimidazolidine-2-thione is CCN1C(=S)NCC1c1ccc(N(C)C)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-1-ethylimidazolidine-2-thione?
The InChIKey is QPXJXOYHVMIYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-4-16-12(9-14-13(16)17)10-5-7-11(8-6-10)15(2)3/h5-8,12H,4,9H2,1-3H3,(H,14,17).
What are the key properties of 5-[4-(dimethylamino)phenyl]-1-ethylimidazolidine-2-thione?
5-[4-(dimethylamino)phenyl]-1-ethylimidazolidine-2-thione has a molecular weight of 249.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-1-ethylimidazolidine-2-thione is sourced from PubChem (CID 10538598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).