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

C8H15N3S — CID 29062800

IUPAC3-[3-(dimethylamino)propyl]-1H-imidazole-2-thione
SMILESCN(C)CCCn1cc[nH]c1=S
InChIInChI=1S/C8H15N3S/c1-10(2)5-3-6-11-7-4-9-8(11)12/h4,7H,3,5-6H2,1-2H3,(H,9,12)
InChIKeyYXPHXVFTRPKDBX-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.50
Rot. Bonds4

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

3-[3-(dimethylamino)propyl]-1H-imidazole-2-thione (PubChem CID 29062800) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-1H-imidazole-2-thione
PubChem CID29062800
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name3-[3-(dimethylamino)propyl]-1H-imidazole-2-thione
SMILESCN(C)CCCn1cc[nH]c1=S
InChIInChI=1S/C8H15N3S/c1-10(2)5-3-6-11-7-4-9-8(11)12/h4,7H,3,5-6H2,1-2H3,(H,9,12)
InChIKeyYXPHXVFTRPKDBX-UHFFFAOYSA-N
XLogP1.50
TPSA23.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
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-Pentyl-1,3-dihydro-2H-imidazole-2-thione
CID 4214085
2H-Imidazole-2-thione, 1-[2-(dimethylamino)ethyl]-1,3-dihydro-
CID 3053437
1-hexyl-1,3-dihydro-2H-imidazole-2-thione
CID 64183878
1-(N,N-dimethylaminomethyl)-1,3-dihydro-2himidazole-2-thione
CID 145722108

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-1H-imidazole-2-thione?
The IUPAC name of 3-[3-(dimethylamino)propyl]-1H-imidazole-2-thione (CID 29062800) is 3-[3-(dimethylamino)propyl]-1H-imidazole-2-thione.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-1H-imidazole-2-thione?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-1H-imidazole-2-thione is CN(C)CCCn1cc[nH]c1=S.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-1H-imidazole-2-thione?
The InChIKey is YXPHXVFTRPKDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-10(2)5-3-6-11-7-4-9-8(11)12/h4,7H,3,5-6H2,1-2H3,(H,9,12).
What are the key properties of 3-[3-(dimethylamino)propyl]-1H-imidazole-2-thione?
3-[3-(dimethylamino)propyl]-1H-imidazole-2-thione has a molecular weight of 185.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-1H-imidazole-2-thione is sourced from PubChem (CID 29062800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).