5-hydroxy-3-methyl-4-(sulfanylmethyl)-1H-imidazol-2-one

C5H8N2O2S — CID 91345397

IUPAC5-hydroxy-3-methyl-4-(sulfanylmethyl)-1H-imidazol-2-one
SMILESCn1c(CS)c(O)[nH]c1=O
InChIInChI=1S/C5H8N2O2S/c1-7-3(2-10)4(8)6-5(7)9/h8,10H,2H2,1H3,(H,6,9)
InChIKeyFKLYFOFTAXWZQM-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.15
Rot. Bonds1

About 5-hydroxy-3-methyl-4-(sulfanylmethyl)-1H-imidazol-2-one

5-hydroxy-3-methyl-4-(sulfanylmethyl)-1H-imidazol-2-one (PubChem CID 91345397) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-4-(sulfanylmethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-hydroxy-3-methyl-4-(sulfanylmethyl)-1H-imidazol-2-one
PubChem CID91345397
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name5-hydroxy-3-methyl-4-(sulfanylmethyl)-1H-imidazol-2-one
SMILESCn1c(CS)c(O)[nH]c1=O
InChIInChI=1S/C5H8N2O2S/c1-7-3(2-10)4(8)6-5(7)9/h8,10H,2H2,1H3,(H,6,9)
InChIKeyFKLYFOFTAXWZQM-UHFFFAOYSA-N
XLogP-0.15
TPSA58.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.15
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-methyl-4-(sulfanylmethyl)-1H-imidazol-2-one?
The IUPAC name of 5-hydroxy-3-methyl-4-(sulfanylmethyl)-1H-imidazol-2-one (CID 91345397) is 5-hydroxy-3-methyl-4-(sulfanylmethyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-hydroxy-3-methyl-4-(sulfanylmethyl)-1H-imidazol-2-one?
The canonical SMILES for 5-hydroxy-3-methyl-4-(sulfanylmethyl)-1H-imidazol-2-one is Cn1c(CS)c(O)[nH]c1=O.
What is the InChIKey of 5-hydroxy-3-methyl-4-(sulfanylmethyl)-1H-imidazol-2-one?
The InChIKey is FKLYFOFTAXWZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-7-3(2-10)4(8)6-5(7)9/h8,10H,2H2,1H3,(H,6,9).
What are the key properties of 5-hydroxy-3-methyl-4-(sulfanylmethyl)-1H-imidazol-2-one?
5-hydroxy-3-methyl-4-(sulfanylmethyl)-1H-imidazol-2-one has a molecular weight of 160.20 g/mol, XLogP of -0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-4-(sulfanylmethyl)-1H-imidazol-2-one is sourced from PubChem (CID 91345397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).