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

C10H19N3S — CID 64863351

IUPAC3-[2-(dimethylamino)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1CCN(C)C
InChIInChI=1S/C10H19N3S/c1-8(2)9-7-11-10(14)13(9)6-5-12(3)4/h7-8H,5-6H2,1-4H3,(H,11,14)
InChIKeyCTWNMLUYIUOFSN-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.23
Rot. Bonds4

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

3-[2-(dimethylamino)ethyl]-4-propan-2-yl-1H-imidazole-2-thione (PubChem CID 64863351) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-4-propan-2-yl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
PubChem CID64863351
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name3-[2-(dimethylamino)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
SMILESCC(C)c1c[nH]c(=S)n1CCN(C)C
InChIInChI=1S/C10H19N3S/c1-8(2)9-7-11-10(14)13(9)6-5-12(3)4/h7-8H,5-6H2,1-4H3,(H,11,14)
InChIKeyCTWNMLUYIUOFSN-UHFFFAOYSA-N
XLogP2.23
TPSA23.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.23
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-[2-(dimethylamino)ethyl]-4-propan-2-yl-1H-imidazole-2-thione?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-4-propan-2-yl-1H-imidazole-2-thione (CID 64863351) is 3-[2-(dimethylamino)ethyl]-4-propan-2-yl-1H-imidazole-2-thione.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-4-propan-2-yl-1H-imidazole-2-thione?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-4-propan-2-yl-1H-imidazole-2-thione is CC(C)c1c[nH]c(=S)n1CCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-4-propan-2-yl-1H-imidazole-2-thione?
The InChIKey is CTWNMLUYIUOFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8(2)9-7-11-10(14)13(9)6-5-12(3)4/h7-8H,5-6H2,1-4H3,(H,11,14).
What are the key properties of 3-[2-(dimethylamino)ethyl]-4-propan-2-yl-1H-imidazole-2-thione?
3-[2-(dimethylamino)ethyl]-4-propan-2-yl-1H-imidazole-2-thione has a molecular weight of 213.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-4-propan-2-yl-1H-imidazole-2-thione is sourced from PubChem (CID 64863351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).