5-hydroxy-3-propan-2-yl-4-sulfanyl-1H-imidazol-2-one

C6H10N2O2S — CID 91444789

IUPAC5-hydroxy-3-propan-2-yl-4-sulfanyl-1H-imidazol-2-one
SMILESCC(C)n1c(S)c(O)[nH]c1=O
InChIInChI=1S/C6H10N2O2S/c1-3(2)8-5(11)4(9)7-6(8)10/h3,9,11H,1-2H3,(H,7,10)
InChIKeyFZQRAKKYUCRZNW-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.75
Rot. Bonds1

About 5-hydroxy-3-propan-2-yl-4-sulfanyl-1H-imidazol-2-one

5-hydroxy-3-propan-2-yl-4-sulfanyl-1H-imidazol-2-one (PubChem CID 91444789) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 5-hydroxy-3-propan-2-yl-4-sulfanyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-hydroxy-3-propan-2-yl-4-sulfanyl-1H-imidazol-2-one
PubChem CID91444789
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name5-hydroxy-3-propan-2-yl-4-sulfanyl-1H-imidazol-2-one
SMILESCC(C)n1c(S)c(O)[nH]c1=O
InChIInChI=1S/C6H10N2O2S/c1-3(2)8-5(11)4(9)7-6(8)10/h3,9,11H,1-2H3,(H,7,10)
InChIKeyFZQRAKKYUCRZNW-UHFFFAOYSA-N
XLogP0.75
TPSA58.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-propan-2-yl-4-sulfanyl-1H-imidazol-2-one?
The IUPAC name of 5-hydroxy-3-propan-2-yl-4-sulfanyl-1H-imidazol-2-one (CID 91444789) is 5-hydroxy-3-propan-2-yl-4-sulfanyl-1H-imidazol-2-one.
What is the SMILES notation for 5-hydroxy-3-propan-2-yl-4-sulfanyl-1H-imidazol-2-one?
The canonical SMILES for 5-hydroxy-3-propan-2-yl-4-sulfanyl-1H-imidazol-2-one is CC(C)n1c(S)c(O)[nH]c1=O.
What is the InChIKey of 5-hydroxy-3-propan-2-yl-4-sulfanyl-1H-imidazol-2-one?
The InChIKey is FZQRAKKYUCRZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-3(2)8-5(11)4(9)7-6(8)10/h3,9,11H,1-2H3,(H,7,10).
What are the key properties of 5-hydroxy-3-propan-2-yl-4-sulfanyl-1H-imidazol-2-one?
5-hydroxy-3-propan-2-yl-4-sulfanyl-1H-imidazol-2-one has a molecular weight of 174.22 g/mol, XLogP of 0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-propan-2-yl-4-sulfanyl-1H-imidazol-2-one is sourced from PubChem (CID 91444789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).