3-(1,3-thiazol-2-yl)oxiran-2-ol

C5H5NO2S — CID 147660000

IUPAC3-(1,3-thiazol-2-yl)oxiran-2-ol
SMILESOC1OC1c1nccs1
InChIInChI=1S/C5H5NO2S/c7-5-3(8-5)4-6-1-2-9-4/h1-3,5,7H
InChIKeyGLDYQDOUMFGQNU-UHFFFAOYSA-N
MW143.17 g/mol
LogP0.53
Rot. Bonds1

About 3-(1,3-thiazol-2-yl)oxiran-2-ol

3-(1,3-thiazol-2-yl)oxiran-2-ol (PubChem CID 147660000) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)oxiran-2-ol.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)oxiran-2-ol
PubChem CID147660000
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Name3-(1,3-thiazol-2-yl)oxiran-2-ol
SMILESOC1OC1c1nccs1
InChIInChI=1S/C5H5NO2S/c7-5-3(8-5)4-6-1-2-9-4/h1-3,5,7H
InChIKeyGLDYQDOUMFGQNU-UHFFFAOYSA-N
XLogP0.53
TPSA45.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-(1,3-thiazol-2-yl)oxiran-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)oxiran-2-ol?
The IUPAC name of 3-(1,3-thiazol-2-yl)oxiran-2-ol (CID 147660000) is 3-(1,3-thiazol-2-yl)oxiran-2-ol.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)oxiran-2-ol?
The canonical SMILES for 3-(1,3-thiazol-2-yl)oxiran-2-ol is OC1OC1c1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)oxiran-2-ol?
The InChIKey is GLDYQDOUMFGQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c7-5-3(8-5)4-6-1-2-9-4/h1-3,5,7H.
What are the key properties of 3-(1,3-thiazol-2-yl)oxiran-2-ol?
3-(1,3-thiazol-2-yl)oxiran-2-ol has a molecular weight of 143.17 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)oxiran-2-ol is sourced from PubChem (CID 147660000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).