3-ethyl-4-hydroxy-5-sulfanyl-1,3-thiazol-2-one

C5H7NO2S2 — CID 90830304

IUPAC3-ethyl-4-hydroxy-5-sulfanyl-1,3-thiazol-2-one
SMILESCCn1c(O)c(S)sc1=O
InChIInChI=1S/C5H7NO2S2/c1-2-6-3(7)4(9)10-5(6)8/h7,9H,2H2,1H3
InChIKeyOSUJGPHNCQYKPO-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.92
Rot. Bonds1

About 3-ethyl-4-hydroxy-5-sulfanyl-1,3-thiazol-2-one

3-ethyl-4-hydroxy-5-sulfanyl-1,3-thiazol-2-one (PubChem CID 90830304) has the molecular formula C5H7NO2S2 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-5-sulfanyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-5-sulfanyl-1,3-thiazol-2-one
PubChem CID90830304
Molecular FormulaC5H7NO2S2
Molecular Weight177.25 g/mol
Exact Mass176.99
IUPAC Name3-ethyl-4-hydroxy-5-sulfanyl-1,3-thiazol-2-one
SMILESCCn1c(O)c(S)sc1=O
InChIInChI=1S/C5H7NO2S2/c1-2-6-3(7)4(9)10-5(6)8/h7,9H,2H2,1H3
InChIKeyOSUJGPHNCQYKPO-UHFFFAOYSA-N
XLogP0.92
TPSA42.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.92
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

4-Hydroxy-3-methyl-5-sulfanyl-1,3-thiazol-2-one
CID 90927831
3-Ethyl-5-hydroxy-1,3-thiazol-2-one
CID 91228450
3-Ethyl-4,5-bis(sulfanyl)-1,3-thiazol-2-one
CID 102300959

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-5-sulfanyl-1,3-thiazol-2-one?
The IUPAC name of 3-ethyl-4-hydroxy-5-sulfanyl-1,3-thiazol-2-one (CID 90830304) is 3-ethyl-4-hydroxy-5-sulfanyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-ethyl-4-hydroxy-5-sulfanyl-1,3-thiazol-2-one?
The canonical SMILES for 3-ethyl-4-hydroxy-5-sulfanyl-1,3-thiazol-2-one is CCn1c(O)c(S)sc1=O.
What is the InChIKey of 3-ethyl-4-hydroxy-5-sulfanyl-1,3-thiazol-2-one?
The InChIKey is OSUJGPHNCQYKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S2/c1-2-6-3(7)4(9)10-5(6)8/h7,9H,2H2,1H3.
What are the key properties of 3-ethyl-4-hydroxy-5-sulfanyl-1,3-thiazol-2-one?
3-ethyl-4-hydroxy-5-sulfanyl-1,3-thiazol-2-one has a molecular weight of 177.25 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-5-sulfanyl-1,3-thiazol-2-one is sourced from PubChem (CID 90830304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).