3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione

C9H17N3OS — CID 62844350

IUPAC3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione
SMILESCOCCN(C)CCn1cc[nH]c1=S
InChIInChI=1S/C9H17N3OS/c1-11(7-8-13-2)5-6-12-4-3-10-9(12)14/h3-4H,5-8H2,1-2H3,(H,10,14)
InChIKeySHNAOZRGDWNPCU-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.12
Rot. Bonds6

About 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione

3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione (PubChem CID 62844350) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione
PubChem CID62844350
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione
SMILESCOCCN(C)CCn1cc[nH]c1=S
InChIInChI=1S/C9H17N3OS/c1-11(7-8-13-2)5-6-12-4-3-10-9(12)14/h3-4H,5-8H2,1-2H3,(H,10,14)
InChIKeySHNAOZRGDWNPCU-UHFFFAOYSA-N
XLogP1.12
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione?
The IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione (CID 62844350) is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione.
What is the SMILES notation for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione?
The canonical SMILES for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione is COCCN(C)CCn1cc[nH]c1=S.
What is the InChIKey of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione?
The InChIKey is SHNAOZRGDWNPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-11(7-8-13-2)5-6-12-4-3-10-9(12)14/h3-4H,5-8H2,1-2H3,(H,10,14).
What are the key properties of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione?
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione has a molecular weight of 215.32 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-imidazole-2-thione is sourced from PubChem (CID 62844350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).