1-(4-methylimidazol-1-yl)-2-methylsulfanylethanone

C7H10N2OS — CID 59104164

IUPAC1-(4-methylimidazol-1-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)n1cnc(C)c1
InChIInChI=1S/C7H10N2OS/c1-6-3-9(5-8-6)7(10)4-11-2/h3,5H,4H2,1-2H3
InChIKeyDBEGTWMUULJSGD-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.19
Rot. Bonds2

About 1-(4-methylimidazol-1-yl)-2-methylsulfanylethanone

1-(4-methylimidazol-1-yl)-2-methylsulfanylethanone (PubChem CID 59104164) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-(4-methylimidazol-1-yl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(4-methylimidazol-1-yl)-2-methylsulfanylethanone
PubChem CID59104164
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name1-(4-methylimidazol-1-yl)-2-methylsulfanylethanone
SMILESCSCC(=O)n1cnc(C)c1
InChIInChI=1S/C7H10N2OS/c1-6-3-9(5-8-6)7(10)4-11-2/h3,5H,4H2,1-2H3
InChIKeyDBEGTWMUULJSGD-UHFFFAOYSA-N
XLogP1.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylimidazol-1-yl)-2-methylsulfanylethanone 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

N-[4-(5-methylimidazol-1-yl)but-2-ynyl]acetamide
CID 15065556
N-methyl-N-[4-(5-methylimidazol-1-yl)but-2-ynyl]acetamide
CID 15065558
N-methyl-N-[5-(5-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide
CID 15065560
1-Acetyl-4-methylimidazole
CID 10953492
2-{[2-(4-Methyl-1H-imidazol-1-yl)ethyl]sulfanyl}ethan-1-ol
CID 71345702
Ethyl 4-[[bis(2-ethylsulfanylethyl)amino]methyl]imidazole-1-carboxylate
CID 155934072
4-Methylimidazole-1-carboxylate
CID 22447559
1-(5-Methylimidazol-1-yl)ethanone
CID 10964489
1-Acetyl-2,4-dimethylimidazole
CID 13058841
N,N,4-Trimethyl-1H-imidazole-1-carboxamide
CID 14231157
1-(1,3,4-Trimethylimidazol-1-ium-2-yl)sulfanylpropan-2-one
CID 15165929
1-(1,5-Dimethylimidazol-2-yl)sulfanylpropan-2-one
CID 15718727

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylimidazol-1-yl)-2-methylsulfanylethanone?
The IUPAC name of 1-(4-methylimidazol-1-yl)-2-methylsulfanylethanone (CID 59104164) is 1-(4-methylimidazol-1-yl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(4-methylimidazol-1-yl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(4-methylimidazol-1-yl)-2-methylsulfanylethanone is CSCC(=O)n1cnc(C)c1.
What is the InChIKey of 1-(4-methylimidazol-1-yl)-2-methylsulfanylethanone?
The InChIKey is DBEGTWMUULJSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-6-3-9(5-8-6)7(10)4-11-2/h3,5H,4H2,1-2H3.
What are the key properties of 1-(4-methylimidazol-1-yl)-2-methylsulfanylethanone?
1-(4-methylimidazol-1-yl)-2-methylsulfanylethanone has a molecular weight of 170.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylimidazol-1-yl)-2-methylsulfanylethanone is sourced from PubChem (CID 59104164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).