3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione

C7H13N3S — CID 3053437

IUPAC3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione
SMILESCN(C)CCn1cc[nH]c1=S
InChIInChI=1S/C7H13N3S/c1-9(2)5-6-10-4-3-8-7(10)11/h3-4H,5-6H2,1-2H3,(H,8,11)
InChIKeyVGXANULMFYRRBH-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.11
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione

3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione (PubChem CID 3053437) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione
PubChem CID3053437
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione
SMILESCN(C)CCn1cc[nH]c1=S
InChIInChI=1S/C7H13N3S/c1-9(2)5-6-10-4-3-8-7(10)11/h3-4H,5-6H2,1-2H3,(H,8,11)
InChIKeyVGXANULMFYRRBH-UHFFFAOYSA-N
XLogP1.11
TPSA23.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(dimethylamino)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

Methimazole
CID 1349907
1-ethyl-1H-imidazole-2-thiol
CID 12503264
Imidazole-2-thiol, 1-butyl-
CID 3034213
1-(2-Methylpropyl)-1H-imidazole-2-thiol
CID 3035130
1-propyl-1H-imidazole-2-thiol
CID 4961587
Imidazole-2-thiol, 1-(dimethylaminoethyl)-, hydrochloride
CID 3053436
3-(trideuteriomethyl)-1H-imidazole-2-thione
CID 42641318
1-tert-butyl-1H-imidazole-2-thiol
CID 12030030
1-(Propan-2-yl)-1,3-dihydro-2H-imidazole-2-thione
CID 12503265
1-Vinyl-4-imidazoline-2-thione
CID 135377257
1-(N,N-dimethylaminomethyl)-1,3-dihydro-2himidazole-2-thione
CID 145722108
1-Methyl(3-~2~H)-1,3-dihydro-2H-imidazole-2-thione
CID 138396084

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione (CID 3053437) is 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione is CN(C)CCn1cc[nH]c1=S.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione?
The InChIKey is VGXANULMFYRRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-9(2)5-6-10-4-3-8-7(10)11/h3-4H,5-6H2,1-2H3,(H,8,11).
What are the key properties of 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione?
3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione has a molecular weight of 171.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1H-imidazole-2-thione is sourced from PubChem (CID 3053437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).