2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole

C6H12N2S — CID 90875988

IUPAC2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole
SMILESCSC(C)C1=NCCN1
InChIInChI=1S/C6H12N2S/c1-5(9-2)6-7-3-4-8-6/h5H,3-4H2,1-2H3,(H,7,8)
InChIKeyFZEYEBCTDICNGG-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.74
Rot. Bonds2

About 2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole

2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole (PubChem CID 90875988) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole
PubChem CID90875988
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole
SMILESCSC(C)C1=NCCN1
InChIInChI=1S/C6H12N2S/c1-5(9-2)6-7-3-4-8-6/h5H,3-4H2,1-2H3,(H,7,8)
InChIKeyFZEYEBCTDICNGG-UHFFFAOYSA-N
XLogP0.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole 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 2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole (CID 90875988) is 2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole is CSC(C)C1=NCCN1.
What is the InChIKey of 2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is FZEYEBCTDICNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-5(9-2)6-7-3-4-8-6/h5H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole?
2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 144.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfanylethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 90875988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).