3-[3-(dimethylamino)propyl]-4-ethyl-1H-imidazole-2-thione

C10H19N3S — CID 81338229

IUPAC3-[3-(dimethylamino)propyl]-4-ethyl-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1CCCN(C)C
InChIInChI=1S/C10H19N3S/c1-4-9-8-11-10(14)13(9)7-5-6-12(2)3/h8H,4-7H2,1-3H3,(H,11,14)
InChIKeySYVPURMDJVOSJR-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.06
Rot. Bonds5

About 3-[3-(dimethylamino)propyl]-4-ethyl-1H-imidazole-2-thione

3-[3-(dimethylamino)propyl]-4-ethyl-1H-imidazole-2-thione (PubChem CID 81338229) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-4-ethyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-4-ethyl-1H-imidazole-2-thione
PubChem CID81338229
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name3-[3-(dimethylamino)propyl]-4-ethyl-1H-imidazole-2-thione
SMILESCCc1c[nH]c(=S)n1CCCN(C)C
InChIInChI=1S/C10H19N3S/c1-4-9-8-11-10(14)13(9)7-5-6-12(2)3/h8H,4-7H2,1-3H3,(H,11,14)
InChIKeySYVPURMDJVOSJR-UHFFFAOYSA-N
XLogP2.06
TPSA23.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-(dimethylamino)propyl]-4-ethyl-1H-imidazole-2-thione?
The IUPAC name of 3-[3-(dimethylamino)propyl]-4-ethyl-1H-imidazole-2-thione (CID 81338229) is 3-[3-(dimethylamino)propyl]-4-ethyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-4-ethyl-1H-imidazole-2-thione?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-4-ethyl-1H-imidazole-2-thione is CCc1c[nH]c(=S)n1CCCN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-4-ethyl-1H-imidazole-2-thione?
The InChIKey is SYVPURMDJVOSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-9-8-11-10(14)13(9)7-5-6-12(2)3/h8H,4-7H2,1-3H3,(H,11,14).
What are the key properties of 3-[3-(dimethylamino)propyl]-4-ethyl-1H-imidazole-2-thione?
3-[3-(dimethylamino)propyl]-4-ethyl-1H-imidazole-2-thione has a molecular weight of 213.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-4-ethyl-1H-imidazole-2-thione is sourced from PubChem (CID 81338229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).