4-ethyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione

C11H18N2OS — CID 81335196

IUPAC4-ethyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1CCC1CCCO1
InChIInChI=1S/C11H18N2OS/c1-2-9-8-12-11(15)13(9)6-5-10-4-3-7-14-10/h8,10H,2-7H2,1H3,(H,12,15)
InChIKeyAIORGECLVDDNGH-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.68
Rot. Bonds4

About 4-ethyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione

4-ethyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione (PubChem CID 81335196) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-ethyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-ethyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
PubChem CID81335196
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-ethyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1CCC1CCCO1
InChIInChI=1S/C11H18N2OS/c1-2-9-8-12-11(15)13(9)6-5-10-4-3-7-14-10/h8,10H,2-7H2,1H3,(H,12,15)
InChIKeyAIORGECLVDDNGH-UHFFFAOYSA-N
XLogP2.68
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethyl-3-[2-(oxolan-2-yl)ethyl]-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-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
CID 61787802
3-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64862976
3-(oxolan-2-ylmethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863155
3-(oxan-2-ylmethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863558
3-[2-(oxolan-2-yl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64864333
4-(hydroxymethyl)-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
CID 66148856
4-ethyl-3-(oxan-2-ylmethyl)-1H-imidazole-2-thione
CID 81334606
4-tert-butyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
CID 81334815
4-methyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
CID 81334816
4-ethyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
CID 81334935
4-tert-butyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
CID 81335076
4-methyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
CID 81335077

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione?
The IUPAC name of 4-ethyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione (CID 81335196) is 4-ethyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione.
What is the SMILES notation for 4-ethyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione?
The canonical SMILES for 4-ethyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione is CCc1c[nH]c(=S)n1CCC1CCCO1.
What is the InChIKey of 4-ethyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione?
The InChIKey is AIORGECLVDDNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-9-8-12-11(15)13(9)6-5-10-4-3-7-14-10/h8,10H,2-7H2,1H3,(H,12,15).
What are the key properties of 4-ethyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione?
4-ethyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione has a molecular weight of 226.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione is sourced from PubChem (CID 81335196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).