3-(2-hydroxyethyl)-1,3-thiazol-2-one

C5H7NO2S — CID 63312361

IUPAC3-(2-hydroxyethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CCO
InChIInChI=1S/C5H7NO2S/c7-3-1-6-2-4-9-5(6)8/h2,4,7H,1,3H2
InChIKeyTYDUJZIWPQFOTF-UHFFFAOYSA-N
MW145.18 g/mol
LogP-0.10
Rot. Bonds2

About 3-(2-hydroxyethyl)-1,3-thiazol-2-one

3-(2-hydroxyethyl)-1,3-thiazol-2-one (PubChem CID 63312361) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1,3-thiazol-2-one
PubChem CID63312361
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name3-(2-hydroxyethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CCO
InChIInChI=1S/C5H7NO2S/c7-3-1-6-2-4-9-5(6)8/h2,4,7H,1,3H2
InChIKeyTYDUJZIWPQFOTF-UHFFFAOYSA-N
XLogP-0.10
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2-hydroxyethyl)-1,3-thiazol-2-one (CID 63312361) is 3-(2-hydroxyethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-hydroxyethyl)-1,3-thiazol-2-one is O=c1sccn1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-1,3-thiazol-2-one?
The InChIKey is TYDUJZIWPQFOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c7-3-1-6-2-4-9-5(6)8/h2,4,7H,1,3H2.
What are the key properties of 3-(2-hydroxyethyl)-1,3-thiazol-2-one?
3-(2-hydroxyethyl)-1,3-thiazol-2-one has a molecular weight of 145.18 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 63312361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).