5-(2-methylsulfanylethyl)-1H-imidazole

C6H10N2S — CID 141211352

IUPAC5-(2-methylsulfanylethyl)-1H-imidazole
SMILESCSCCc1cnc[nH]1
InChIInChI=1S/C6H10N2S/c1-9-3-2-6-4-7-5-8-6/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyOFMGXEWSBNDVIL-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.32
Rot. Bonds3

About 5-(2-methylsulfanylethyl)-1H-imidazole

5-(2-methylsulfanylethyl)-1H-imidazole (PubChem CID 141211352) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 5-(2-methylsulfanylethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2-methylsulfanylethyl)-1H-imidazole
PubChem CID141211352
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name5-(2-methylsulfanylethyl)-1H-imidazole
SMILESCSCCc1cnc[nH]1
InChIInChI=1S/C6H10N2S/c1-9-3-2-6-4-7-5-8-6/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyOFMGXEWSBNDVIL-UHFFFAOYSA-N
XLogP1.32
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-methylsulfanylethyl)-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine
CID 174826915
2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride
CID 67652425
N-(1H-imidazol-5-ylmethyl)-4-methylsulfanylbutan-2-amine
CID 115639983
2-(1H-imidazol-5-yl)ethanol;molecular hydrogen
CID 168881125
5-hexyl-1H-imidazole
CID 14225142
chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine
CID 67432919
(1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine
CID 25239956
3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1,3-thiazole
CID 10512688
4-(1H-imidazol-5-yl)butan-1-amine
CID 13499360
N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine
CID 102056012
5-ethyl-1H-imidazole;molecular hydrogen;propane
CID 153371786

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylethyl)-1H-imidazole?
The IUPAC name of 5-(2-methylsulfanylethyl)-1H-imidazole (CID 141211352) is 5-(2-methylsulfanylethyl)-1H-imidazole.
What is the SMILES notation for 5-(2-methylsulfanylethyl)-1H-imidazole?
The canonical SMILES for 5-(2-methylsulfanylethyl)-1H-imidazole is CSCCc1cnc[nH]1.
What is the InChIKey of 5-(2-methylsulfanylethyl)-1H-imidazole?
The InChIKey is OFMGXEWSBNDVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-9-3-2-6-4-7-5-8-6/h4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of 5-(2-methylsulfanylethyl)-1H-imidazole?
5-(2-methylsulfanylethyl)-1H-imidazole has a molecular weight of 142.23 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylethyl)-1H-imidazole is sourced from PubChem (CID 141211352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).