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

C7H9NO2S — CID 91384675

IUPAC5-ethenyl-3-ethyl-4-hydroxy-1,3-thiazol-2-one
SMILESC=Cc1sc(=O)n(CC)c1O
InChIInChI=1S/C7H9NO2S/c1-3-5-6(9)8(4-2)7(10)11-5/h3,9H,1,4H2,2H3
InChIKeyYXVAWXCPTFTUJN-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.28
Rot. Bonds2

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

5-ethenyl-3-ethyl-4-hydroxy-1,3-thiazol-2-one (PubChem CID 91384675) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 5-ethenyl-3-ethyl-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-ethenyl-3-ethyl-4-hydroxy-1,3-thiazol-2-one
PubChem CID91384675
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name5-ethenyl-3-ethyl-4-hydroxy-1,3-thiazol-2-one
SMILESC=Cc1sc(=O)n(CC)c1O
InChIInChI=1S/C7H9NO2S/c1-3-5-6(9)8(4-2)7(10)11-5/h3,9H,1,4H2,2H3
InChIKeyYXVAWXCPTFTUJN-UHFFFAOYSA-N
XLogP1.28
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethenyl-3-ethyl-4-hydroxy-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Ethenyl-4-hydroxy-3-methyl-1,3-thiazol-2-one
CID 90698986
4-hydroxy-3-methyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-one
CID 90802526

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-ethyl-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 5-ethenyl-3-ethyl-4-hydroxy-1,3-thiazol-2-one (CID 91384675) is 5-ethenyl-3-ethyl-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 5-ethenyl-3-ethyl-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 5-ethenyl-3-ethyl-4-hydroxy-1,3-thiazol-2-one is C=Cc1sc(=O)n(CC)c1O.
What is the InChIKey of 5-ethenyl-3-ethyl-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is YXVAWXCPTFTUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-3-5-6(9)8(4-2)7(10)11-5/h3,9H,1,4H2,2H3.
What are the key properties of 5-ethenyl-3-ethyl-4-hydroxy-1,3-thiazol-2-one?
5-ethenyl-3-ethyl-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 171.22 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-ethyl-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 91384675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).