5-methyl-3-[(4-methylthiophen-3-yl)methyl]-1H-imidazole-2-thione

C10H12N2S2 — CID 81336336

IUPAC5-methyl-3-[(4-methylthiophen-3-yl)methyl]-1H-imidazole-2-thione
SMILESCc1cn(Cc2cscc2C)c(=S)[nH]1
InChIInChI=1S/C10H12N2S2/c1-7-5-14-6-9(7)4-12-3-8(2)11-10(12)13/h3,5-6H,4H2,1-2H3,(H,11,13)
InChIKeyJDFJKIQKNJCXQM-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.27
Rot. Bonds2

About 5-methyl-3-[(4-methylthiophen-3-yl)methyl]-1H-imidazole-2-thione

5-methyl-3-[(4-methylthiophen-3-yl)methyl]-1H-imidazole-2-thione (PubChem CID 81336336) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-methyl-3-[(4-methylthiophen-3-yl)methyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name5-methyl-3-[(4-methylthiophen-3-yl)methyl]-1H-imidazole-2-thione
PubChem CID81336336
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name5-methyl-3-[(4-methylthiophen-3-yl)methyl]-1H-imidazole-2-thione
SMILESCc1cn(Cc2cscc2C)c(=S)[nH]1
InChIInChI=1S/C10H12N2S2/c1-7-5-14-6-9(7)4-12-3-8(2)11-10(12)13/h3,5-6H,4H2,1-2H3,(H,11,13)
InChIKeyJDFJKIQKNJCXQM-UHFFFAOYSA-N
XLogP3.27
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-3-[(4-methylthiophen-3-yl)methyl]-1H-imidazole-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 5-methyl-3-[(4-methylthiophen-3-yl)methyl]-1H-imidazole-2-thione?
The IUPAC name of 5-methyl-3-[(4-methylthiophen-3-yl)methyl]-1H-imidazole-2-thione (CID 81336336) is 5-methyl-3-[(4-methylthiophen-3-yl)methyl]-1H-imidazole-2-thione.
What is the SMILES notation for 5-methyl-3-[(4-methylthiophen-3-yl)methyl]-1H-imidazole-2-thione?
The canonical SMILES for 5-methyl-3-[(4-methylthiophen-3-yl)methyl]-1H-imidazole-2-thione is Cc1cn(Cc2cscc2C)c(=S)[nH]1.
What is the InChIKey of 5-methyl-3-[(4-methylthiophen-3-yl)methyl]-1H-imidazole-2-thione?
The InChIKey is JDFJKIQKNJCXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-7-5-14-6-9(7)4-12-3-8(2)11-10(12)13/h3,5-6H,4H2,1-2H3,(H,11,13).
What are the key properties of 5-methyl-3-[(4-methylthiophen-3-yl)methyl]-1H-imidazole-2-thione?
5-methyl-3-[(4-methylthiophen-3-yl)methyl]-1H-imidazole-2-thione has a molecular weight of 224.35 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(4-methylthiophen-3-yl)methyl]-1H-imidazole-2-thione is sourced from PubChem (CID 81336336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).