4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one

C6H11N3OS — CID 79960449

IUPAC4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one
SMILESCSCCC1NC(=O)N=C1N
InChIInChI=1S/C6H11N3OS/c1-11-3-2-4-5(7)9-6(10)8-4/h4H,2-3H2,1H3,(H3,7,8,9,10)
InChIKeyDKOJJHMYFFABNF-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.19
Rot. Bonds3

About 4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one

4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one (PubChem CID 79960449) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one
PubChem CID79960449
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one
SMILESCSCCC1NC(=O)N=C1N
InChIInChI=1S/C6H11N3OS/c1-11-3-2-4-5(7)9-6(10)8-4/h4H,2-3H2,1H3,(H3,7,8,9,10)
InChIKeyDKOJJHMYFFABNF-UHFFFAOYSA-N
XLogP0.19
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one?
The IUPAC name of 4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one (CID 79960449) is 4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one.
What is the SMILES notation for 4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one?
The canonical SMILES for 4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one is CSCCC1NC(=O)N=C1N.
What is the InChIKey of 4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one?
The InChIKey is DKOJJHMYFFABNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-11-3-2-4-5(7)9-6(10)8-4/h4H,2-3H2,1H3,(H3,7,8,9,10).
What are the key properties of 4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one?
4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one has a molecular weight of 173.24 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-methylsulfanylethyl)-1,5-dihydroimidazol-2-one is sourced from PubChem (CID 79960449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).