4-ethyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione

C13H18N2S2 — CID 81336128

IUPAC4-ethyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione
SMILESCCCC(c1cccs1)n1c(CC)c[nH]c1=S
InChIInChI=1S/C13H18N2S2/c1-3-6-11(12-7-5-8-17-12)15-10(4-2)9-14-13(15)16/h5,7-9,11H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyGGHTZUYWSRPXPS-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.56
Rot. Bonds5

About 4-ethyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione

4-ethyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione (PubChem CID 81336128) has the molecular formula C13H18N2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-ethyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-ethyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione
PubChem CID81336128
Molecular FormulaC13H18N2S2
Molecular Weight266.43 g/mol
Exact Mass266.09
IUPAC Name4-ethyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione
SMILESCCCC(c1cccs1)n1c(CC)c[nH]c1=S
InChIInChI=1S/C13H18N2S2/c1-3-6-11(12-7-5-8-17-12)15-10(4-2)9-14-13(15)16/h5,7-9,11H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyGGHTZUYWSRPXPS-UHFFFAOYSA-N
XLogP4.56
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.56
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

4-phenyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione
CID 63548855
4-methyl-3-(1-thiophen-2-ylpropyl)-1H-imidazole-2-thione
CID 81335070
7-fluoro-3-(1-thiophen-2-ylbutyl)-1H-benzimidazole-2-thione
CID 63546020
3-chloro-5-propyl-4-(1-thiophen-2-ylbutyl)-1,2,4-triazole
CID 63385271
4-ethyl-3-octan-2-yl-1H-imidazole-2-thione
CID 81336123
4-ethyl-3-(3-methylpentan-2-yl)-1H-imidazole-2-thione
CID 81336120
4-ethyl-3-[(1S)-1-(4-fluorophenyl)ethyl]-1H-imidazole-2-thione
CID 124594674
methyl 5-amino-2-ethyl-1-(1-thiophen-2-ylbutyl)imidazole-4-carboxylate
CID 103544931
1-(1-thiophen-2-ylbutyl)-1,4-diazepane-2,5-dione
CID 64966347
2-(chloromethyl)-6-fluoro-1-(1-thiophen-2-ylbutyl)benzimidazole
CID 62378429
6-ethyl-3-methyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966333
4-ethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-2-thione
CID 81336281

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione?
The IUPAC name of 4-ethyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione (CID 81336128) is 4-ethyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione.
What is the SMILES notation for 4-ethyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione?
The canonical SMILES for 4-ethyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione is CCCC(c1cccs1)n1c(CC)c[nH]c1=S.
What is the InChIKey of 4-ethyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione?
The InChIKey is GGHTZUYWSRPXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-3-6-11(12-7-5-8-17-12)15-10(4-2)9-14-13(15)16/h5,7-9,11H,3-4,6H2,1-2H3,(H,14,16).
What are the key properties of 4-ethyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione?
4-ethyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione has a molecular weight of 266.43 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(1-thiophen-2-ylbutyl)-1H-imidazole-2-thione is sourced from PubChem (CID 81336128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).