2-(methylsulfanylmethyl)-1,4-dihydroimidazol-5-one

C5H8N2OS — CID 106951744

IUPAC2-(methylsulfanylmethyl)-1,4-dihydroimidazol-5-one
SMILESCSCC1=NCC(=O)N1
InChIInChI=1S/C5H8N2OS/c1-9-3-4-6-2-5(8)7-4/h2-3H2,1H3,(H,6,7,8)
InChIKeyFZAQXUKPIGRFEZ-UHFFFAOYSA-N
MW144.20 g/mol
LogP-0.12
Rot. Bonds2

About 2-(methylsulfanylmethyl)-1,4-dihydroimidazol-5-one

2-(methylsulfanylmethyl)-1,4-dihydroimidazol-5-one (PubChem CID 106951744) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-1,4-dihydroimidazol-5-one
PubChem CID106951744
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name2-(methylsulfanylmethyl)-1,4-dihydroimidazol-5-one
SMILESCSCC1=NCC(=O)N1
InChIInChI=1S/C5H8N2OS/c1-9-3-4-6-2-5(8)7-4/h2-3H2,1H3,(H,6,7,8)
InChIKeyFZAQXUKPIGRFEZ-UHFFFAOYSA-N
XLogP-0.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(methylsulfanylmethyl)-1,4-dihydroimidazol-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(methylsulfanylmethyl)-1,4-dihydroimidazol-5-one (CID 106951744) is 2-(methylsulfanylmethyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(methylsulfanylmethyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(methylsulfanylmethyl)-1,4-dihydroimidazol-5-one is CSCC1=NCC(=O)N1.
What is the InChIKey of 2-(methylsulfanylmethyl)-1,4-dihydroimidazol-5-one?
The InChIKey is FZAQXUKPIGRFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-9-3-4-6-2-5(8)7-4/h2-3H2,1H3,(H,6,7,8).
What are the key properties of 2-(methylsulfanylmethyl)-1,4-dihydroimidazol-5-one?
2-(methylsulfanylmethyl)-1,4-dihydroimidazol-5-one has a molecular weight of 144.20 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106951744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).