1-(2-methoxyethyl)-2-methylsulfanylimidazole

C7H12N2OS — CID 13031802

IUPAC1-(2-methoxyethyl)-2-methylsulfanylimidazole
SMILESCOCCn1ccnc1SC
InChIInChI=1S/C7H12N2OS/c1-10-6-5-9-4-3-8-7(9)11-2/h3-4H,5-6H2,1-2H3
InChIKeyZSGVPMZXWSNPFV-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.25
Rot. Bonds4

About 1-(2-methoxyethyl)-2-methylsulfanylimidazole

1-(2-methoxyethyl)-2-methylsulfanylimidazole (PubChem CID 13031802) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-methylsulfanylimidazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-methylsulfanylimidazole
PubChem CID13031802
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name1-(2-methoxyethyl)-2-methylsulfanylimidazole
SMILESCOCCn1ccnc1SC
InChIInChI=1S/C7H12N2OS/c1-10-6-5-9-4-3-8-7(9)11-2/h3-4H,5-6H2,1-2H3
InChIKeyZSGVPMZXWSNPFV-UHFFFAOYSA-N
XLogP1.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyethyl)-2-methylsulfanylimidazole 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 1-(2-methoxyethyl)-2-methylsulfanylimidazole?
The IUPAC name of 1-(2-methoxyethyl)-2-methylsulfanylimidazole (CID 13031802) is 1-(2-methoxyethyl)-2-methylsulfanylimidazole.
What is the SMILES notation for 1-(2-methoxyethyl)-2-methylsulfanylimidazole?
The canonical SMILES for 1-(2-methoxyethyl)-2-methylsulfanylimidazole is COCCn1ccnc1SC.
What is the InChIKey of 1-(2-methoxyethyl)-2-methylsulfanylimidazole?
The InChIKey is ZSGVPMZXWSNPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-10-6-5-9-4-3-8-7(9)11-2/h3-4H,5-6H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-2-methylsulfanylimidazole?
1-(2-methoxyethyl)-2-methylsulfanylimidazole has a molecular weight of 172.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-methylsulfanylimidazole is sourced from PubChem (CID 13031802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).