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

C5H7NO3S — CID 123424852

IUPAC4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazol-2-one
SMILESO=c1scc(O)n1CCO
InChIInChI=1S/C5H7NO3S/c7-2-1-6-4(8)3-10-5(6)9/h3,7-8H,1-2H2
InChIKeyQXYLDLBSXACNPX-UHFFFAOYSA-N
MW161.18 g/mol
LogP-0.39
Rot. Bonds2

About 4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazol-2-one

4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazol-2-one (PubChem CID 123424852) has the molecular formula C5H7NO3S and a molecular weight of 161.18 g/mol. Its IUPAC name is 4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazol-2-one
PubChem CID123424852
Molecular FormulaC5H7NO3S
Molecular Weight161.18 g/mol
Exact Mass161.01
IUPAC Name4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazol-2-one
SMILESO=c1scc(O)n1CCO
InChIInChI=1S/C5H7NO3S/c7-2-1-6-4(8)3-10-5(6)9/h3,7-8H,1-2H2
InChIKeyQXYLDLBSXACNPX-UHFFFAOYSA-N
XLogP-0.39
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-Hydroxyethyl)-1,3-thiazol-2-one
CID 17980711
3-Ethyl-4-hydroxy-1,3-thiazol-2-one
CID 54276559
3-(2-Hydroxyethyl)-1,3-thiazol-2-one
CID 63312361
4-Hydroxy-3-(2-methoxyethyl)-1,3-thiazol-2-one
CID 123383007

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazol-2-one (CID 123424852) is 4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazol-2-one is O=c1scc(O)n1CCO.
What is the InChIKey of 4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazol-2-one?
The InChIKey is QXYLDLBSXACNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3S/c7-2-1-6-4(8)3-10-5(6)9/h3,7-8H,1-2H2.
What are the key properties of 4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazol-2-one?
4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazol-2-one has a molecular weight of 161.18 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 123424852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).