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

C10H16N2OS — CID 130915024

IUPAC4-methyl-3-[(5-methyloxolan-2-yl)methyl]-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1CC1CCC(C)O1
InChIInChI=1S/C10H16N2OS/c1-7-5-11-10(14)12(7)6-9-4-3-8(2)13-9/h5,8-9H,3-4,6H2,1-2H3,(H,11,14)
InChIKeyWKAALZQHHZFKCS-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.42
Rot. Bonds2

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

4-methyl-3-[(5-methyloxolan-2-yl)methyl]-1H-imidazole-2-thione (PubChem CID 130915024) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-methyl-3-[(5-methyloxolan-2-yl)methyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-methyl-3-[(5-methyloxolan-2-yl)methyl]-1H-imidazole-2-thione
PubChem CID130915024
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4-methyl-3-[(5-methyloxolan-2-yl)methyl]-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1CC1CCC(C)O1
InChIInChI=1S/C10H16N2OS/c1-7-5-11-10(14)12(7)6-9-4-3-8(2)13-9/h5,8-9H,3-4,6H2,1-2H3,(H,11,14)
InChIKeyWKAALZQHHZFKCS-UHFFFAOYSA-N
XLogP2.42
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-3-[(5-methyloxolan-2-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 4-methyl-3-[(5-methyloxolan-2-yl)methyl]-1H-imidazole-2-thione?
The IUPAC name of 4-methyl-3-[(5-methyloxolan-2-yl)methyl]-1H-imidazole-2-thione (CID 130915024) is 4-methyl-3-[(5-methyloxolan-2-yl)methyl]-1H-imidazole-2-thione.
What is the SMILES notation for 4-methyl-3-[(5-methyloxolan-2-yl)methyl]-1H-imidazole-2-thione?
The canonical SMILES for 4-methyl-3-[(5-methyloxolan-2-yl)methyl]-1H-imidazole-2-thione is Cc1c[nH]c(=S)n1CC1CCC(C)O1.
What is the InChIKey of 4-methyl-3-[(5-methyloxolan-2-yl)methyl]-1H-imidazole-2-thione?
The InChIKey is WKAALZQHHZFKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-5-11-10(14)12(7)6-9-4-3-8(2)13-9/h5,8-9H,3-4,6H2,1-2H3,(H,11,14).
What are the key properties of 4-methyl-3-[(5-methyloxolan-2-yl)methyl]-1H-imidazole-2-thione?
4-methyl-3-[(5-methyloxolan-2-yl)methyl]-1H-imidazole-2-thione has a molecular weight of 212.32 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(5-methyloxolan-2-yl)methyl]-1H-imidazole-2-thione is sourced from PubChem (CID 130915024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).