3-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-1H-imidazole-2-thione

C11H19N3S — CID 105419787

IUPAC3-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1CC1(N(C)C)CCC1
InChIInChI=1S/C11H19N3S/c1-9-7-12-10(15)14(9)8-11(13(2)3)5-4-6-11/h7H,4-6,8H2,1-3H3,(H,12,15)
InChIKeyCTPCEBYJYULQRY-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.34
Rot. Bonds3

About 3-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-1H-imidazole-2-thione

3-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-1H-imidazole-2-thione (PubChem CID 105419787) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-1H-imidazole-2-thione
PubChem CID105419787
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name3-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-1H-imidazole-2-thione
SMILESCc1c[nH]c(=S)n1CC1(N(C)C)CCC1
InChIInChI=1S/C11H19N3S/c1-9-7-12-10(15)14(9)8-11(13(2)3)5-4-6-11/h7H,4-6,8H2,1-3H3,(H,12,15)
InChIKeyCTPCEBYJYULQRY-UHFFFAOYSA-N
XLogP2.34
TPSA23.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.34
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-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-1H-imidazole-2-thione?
The IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-1H-imidazole-2-thione (CID 105419787) is 3-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-1H-imidazole-2-thione?
The canonical SMILES for 3-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-1H-imidazole-2-thione is Cc1c[nH]c(=S)n1CC1(N(C)C)CCC1.
What is the InChIKey of 3-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-1H-imidazole-2-thione?
The InChIKey is CTPCEBYJYULQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9-7-12-10(15)14(9)8-11(13(2)3)5-4-6-11/h7H,4-6,8H2,1-3H3,(H,12,15).
What are the key properties of 3-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-1H-imidazole-2-thione?
3-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-1H-imidazole-2-thione has a molecular weight of 225.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 105419787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).