5-methyl-3-(2-thiophen-2-ylethyl)-1H-imidazole-2-thione

C10H12N2S2 — CID 81335373

IUPAC5-methyl-3-(2-thiophen-2-ylethyl)-1H-imidazole-2-thione
SMILESCc1cn(CCc2cccs2)c(=S)[nH]1
InChIInChI=1S/C10H12N2S2/c1-8-7-12(10(13)11-8)5-4-9-3-2-6-14-9/h2-3,6-7H,4-5H2,1H3,(H,11,13)
InChIKeyWUYAGEJNLDXHDV-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.16
Rot. Bonds3

About 5-methyl-3-(2-thiophen-2-ylethyl)-1H-imidazole-2-thione

5-methyl-3-(2-thiophen-2-ylethyl)-1H-imidazole-2-thione (PubChem CID 81335373) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-methyl-3-(2-thiophen-2-ylethyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name5-methyl-3-(2-thiophen-2-ylethyl)-1H-imidazole-2-thione
PubChem CID81335373
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name5-methyl-3-(2-thiophen-2-ylethyl)-1H-imidazole-2-thione
SMILESCc1cn(CCc2cccs2)c(=S)[nH]1
InChIInChI=1S/C10H12N2S2/c1-8-7-12(10(13)11-8)5-4-9-3-2-6-14-9/h2-3,6-7H,4-5H2,1H3,(H,11,13)
InChIKeyWUYAGEJNLDXHDV-UHFFFAOYSA-N
XLogP3.16
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.16
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

2-sulfanylidene-1-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 62402551
5-methyl-3-(2-pyridin-3-ylethyl)-1H-imidazole-2-thione
CID 81334784
4-methyl-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione
CID 115551591
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291
1-[1-(2-thiophen-2-ylethyl)pyrrol-2-yl]ethanone
CID 79106807
7-chloro-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione
CID 113458929
5-bromo-1-(2-thiophen-2-ylethyl)pyridin-2-one
CID 66308274
1-tert-butylsulfanyl-4-thiophen-2-ylbutan-2-one
CID 65133641
6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64880870
N-cyclopropyl-4-methyl-1-(2-thiophen-2-ylethyl)imidazol-2-amine
CID 106559095
5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one
CID 91650638
N-[[2-methyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 114196068

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-thiophen-2-ylethyl)-1H-imidazole-2-thione?
The IUPAC name of 5-methyl-3-(2-thiophen-2-ylethyl)-1H-imidazole-2-thione (CID 81335373) is 5-methyl-3-(2-thiophen-2-ylethyl)-1H-imidazole-2-thione.
What is the SMILES notation for 5-methyl-3-(2-thiophen-2-ylethyl)-1H-imidazole-2-thione?
The canonical SMILES for 5-methyl-3-(2-thiophen-2-ylethyl)-1H-imidazole-2-thione is Cc1cn(CCc2cccs2)c(=S)[nH]1.
What is the InChIKey of 5-methyl-3-(2-thiophen-2-ylethyl)-1H-imidazole-2-thione?
The InChIKey is WUYAGEJNLDXHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-8-7-12(10(13)11-8)5-4-9-3-2-6-14-9/h2-3,6-7H,4-5H2,1H3,(H,11,13).
What are the key properties of 5-methyl-3-(2-thiophen-2-ylethyl)-1H-imidazole-2-thione?
5-methyl-3-(2-thiophen-2-ylethyl)-1H-imidazole-2-thione has a molecular weight of 224.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-thiophen-2-ylethyl)-1H-imidazole-2-thione is sourced from PubChem (CID 81335373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).