3-(2-methoxyethyl)-5-methyl-1H-imidazole-2-thione

C7H12N2OS — CID 81335608

IUPAC3-(2-methoxyethyl)-5-methyl-1H-imidazole-2-thione
SMILESCOCCn1cc(C)[nH]c1=S
InChIInChI=1S/C7H12N2OS/c1-6-5-9(3-4-10-2)7(11)8-6/h5H,3-4H2,1-2H3,(H,8,11)
InChIKeyRUJABDYRUVYBHM-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.50
Rot. Bonds3

About 3-(2-methoxyethyl)-5-methyl-1H-imidazole-2-thione

3-(2-methoxyethyl)-5-methyl-1H-imidazole-2-thione (PubChem CID 81335608) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-methyl-1H-imidazole-2-thione
PubChem CID81335608
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-(2-methoxyethyl)-5-methyl-1H-imidazole-2-thione
SMILESCOCCn1cc(C)[nH]c1=S
InChIInChI=1S/C7H12N2OS/c1-6-5-9(3-4-10-2)7(11)8-6/h5H,3-4H2,1-2H3,(H,8,11)
InChIKeyRUJABDYRUVYBHM-UHFFFAOYSA-N
XLogP1.50
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-methoxyethyl)-5-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

Related Compounds

3-ethyl-5-(hydroxymethyl)-1H-imidazole-2-thione
CID 151728307
5-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-imidazole-2-thione
CID 81336096
3-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1H-imidazole-2-thione
CID 105905342
1-(2-methoxyethyl)-4,5-dimethyl-1H-imidazole-2-thiol
CID 16227795
3-ethoxy-5-methyl-1H-imidazole-2-thione
CID 24784219
4-(Hydroxymethyl)-2-mercapto-1-methylimidazole
CID 46839980
5-(ethoxymethyl)-3-propan-2-yl-1H-imidazole-2-thione
CID 137382716
4-(methoxymethyl)-3-methyl-1H-imidazole-2-thione
CID 144680428
4-(Ethoxymethyl)-1,3-dihydroimidazole-2-thione
CID 151916777
3-(1-methoxypropan-2-yl)-1H-imidazole-2-thione
CID 43148451
3-(2-butoxyethyl)-4-methyl-1H-imidazole-2-thione
CID 81334724
3-(1-methoxybutan-2-yl)-4-methyl-1H-imidazole-2-thione
CID 81334751

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-methyl-1H-imidazole-2-thione?
The IUPAC name of 3-(2-methoxyethyl)-5-methyl-1H-imidazole-2-thione (CID 81335608) is 3-(2-methoxyethyl)-5-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2-methoxyethyl)-5-methyl-1H-imidazole-2-thione?
The canonical SMILES for 3-(2-methoxyethyl)-5-methyl-1H-imidazole-2-thione is COCCn1cc(C)[nH]c1=S.
What is the InChIKey of 3-(2-methoxyethyl)-5-methyl-1H-imidazole-2-thione?
The InChIKey is RUJABDYRUVYBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-6-5-9(3-4-10-2)7(11)8-6/h5H,3-4H2,1-2H3,(H,8,11).
What are the key properties of 3-(2-methoxyethyl)-5-methyl-1H-imidazole-2-thione?
3-(2-methoxyethyl)-5-methyl-1H-imidazole-2-thione has a molecular weight of 172.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 81335608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).