4-[2-(dimethylamino)ethyl]-1,3-dihydroimidazole-2-thione

C7H13N3S — CID 18787900

IUPAC4-[2-(dimethylamino)ethyl]-1,3-dihydroimidazole-2-thione
SMILESCN(C)CCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C7H13N3S/c1-10(2)4-3-6-5-8-7(11)9-6/h5H,3-4H2,1-2H3,(H2,8,9,11)
InChIKeyFJZSVIZURSVSOG-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.18
Rot. Bonds3

About 4-[2-(dimethylamino)ethyl]-1,3-dihydroimidazole-2-thione

4-[2-(dimethylamino)ethyl]-1,3-dihydroimidazole-2-thione (PubChem CID 18787900) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-1,3-dihydroimidazole-2-thione
PubChem CID18787900
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name4-[2-(dimethylamino)ethyl]-1,3-dihydroimidazole-2-thione
SMILESCN(C)CCc1c[nH]c(=S)[nH]1
InChIInChI=1S/C7H13N3S/c1-10(2)4-3-6-5-8-7(11)9-6/h5H,3-4H2,1-2H3,(H2,8,9,11)
InChIKeyFJZSVIZURSVSOG-UHFFFAOYSA-N
XLogP1.18
TPSA34.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-[2-(dimethylamino)ethyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-1,3-dihydroimidazole-2-thione (CID 18787900) is 4-[2-(dimethylamino)ethyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-1,3-dihydroimidazole-2-thione is CN(C)CCc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is FJZSVIZURSVSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-10(2)4-3-6-5-8-7(11)9-6/h5H,3-4H2,1-2H3,(H2,8,9,11).
What are the key properties of 4-[2-(dimethylamino)ethyl]-1,3-dihydroimidazole-2-thione?
4-[2-(dimethylamino)ethyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 171.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 18787900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).