1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one

C6H10N2O2S — CID 91000822

IUPAC1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one
SMILESCCn1c(S)c(O)n(C)c1=O
InChIInChI=1S/C6H10N2O2S/c1-3-8-5(11)4(9)7(2)6(8)10/h9,11H,3H2,1-2H3
InChIKeyUOIHJCMNZHQVHJ-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.20
Rot. Bonds1

About 1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one

1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one (PubChem CID 91000822) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one
PubChem CID91000822
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one
SMILESCCn1c(S)c(O)n(C)c1=O
InChIInChI=1S/C6H10N2O2S/c1-3-8-5(11)4(9)7(2)6(8)10/h9,11H,3H2,1-2H3
InChIKeyUOIHJCMNZHQVHJ-UHFFFAOYSA-N
XLogP0.20
TPSA47.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 166726321
3-ethyl-6-hydroxy-1,5-bis(2-sulfanylethyl)pyrimidine-2,4-dione
CID 123916430
1-tert-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 149302621
6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione
CID 816934
4-hydroxy-3-propyl-5-sulfanyl-1H-imidazol-2-one
CID 90737377
3-ethyl-4,5-bis(sulfanyl)-1,3-thiazol-2-one
CID 102300959
5-amino-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 82841701
1-ethyl-3,4-dimethylpyrrole-2,5-diol
CID 91502885
1-ethyl-3,4-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 167961025
1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane
CID 159762511
3-ethyl-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one
CID 54518409
2-hydroxy-4,5-dimethylidene-6-oxo-1-propylpyridine-3-carbonitrile
CID 91209185

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one?
The IUPAC name of 1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one (CID 91000822) is 1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one.
What is the SMILES notation for 1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one?
The canonical SMILES for 1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one is CCn1c(S)c(O)n(C)c1=O.
What is the InChIKey of 1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one?
The InChIKey is UOIHJCMNZHQVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-3-8-5(11)4(9)7(2)6(8)10/h9,11H,3H2,1-2H3.
What are the key properties of 1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one?
1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one has a molecular weight of 174.22 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-3-methyl-5-sulfanylimidazol-2-one is sourced from PubChem (CID 91000822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).