1-ethyl-5-(4-methylphenyl)imidazolidine-2-thione

C12H16N2S — CID 3075575

IUPAC1-ethyl-5-(4-methylphenyl)imidazolidine-2-thione
SMILESCCN1C(=S)NCC1c1ccc(C)cc1
InChIInChI=1S/C12H16N2S/c1-3-14-11(8-13-12(14)15)10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3,(H,13,15)
InChIKeyYDXUEDMPRVGCRM-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.25
Rot. Bonds2

About 1-ethyl-5-(4-methylphenyl)imidazolidine-2-thione

1-ethyl-5-(4-methylphenyl)imidazolidine-2-thione (PubChem CID 3075575) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-ethyl-5-(4-methylphenyl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-ethyl-5-(4-methylphenyl)imidazolidine-2-thione
PubChem CID3075575
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name1-ethyl-5-(4-methylphenyl)imidazolidine-2-thione
SMILESCCN1C(=S)NCC1c1ccc(C)cc1
InChIInChI=1S/C12H16N2S/c1-3-14-11(8-13-12(14)15)10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3,(H,13,15)
InChIKeyYDXUEDMPRVGCRM-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethyl-5-(4-methylphenyl)imidazolidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-methylphenyl)imidazolidine-2-thione?
The IUPAC name of 1-ethyl-5-(4-methylphenyl)imidazolidine-2-thione (CID 3075575) is 1-ethyl-5-(4-methylphenyl)imidazolidine-2-thione.
What is the SMILES notation for 1-ethyl-5-(4-methylphenyl)imidazolidine-2-thione?
The canonical SMILES for 1-ethyl-5-(4-methylphenyl)imidazolidine-2-thione is CCN1C(=S)NCC1c1ccc(C)cc1.
What is the InChIKey of 1-ethyl-5-(4-methylphenyl)imidazolidine-2-thione?
The InChIKey is YDXUEDMPRVGCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-3-14-11(8-13-12(14)15)10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3,(H,13,15).
What are the key properties of 1-ethyl-5-(4-methylphenyl)imidazolidine-2-thione?
1-ethyl-5-(4-methylphenyl)imidazolidine-2-thione has a molecular weight of 220.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-methylphenyl)imidazolidine-2-thione is sourced from PubChem (CID 3075575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).