5-(1-hydroxyethyl)-3H-1,3-thiazol-2-one

C5H7NO2S — CID 81456093

IUPAC5-(1-hydroxyethyl)-3H-1,3-thiazol-2-one
SMILESCC(O)c1c[nH]c(=O)s1
InChIInChI=1S/C5H7NO2S/c1-3(7)4-2-6-5(8)9-4/h2-3,7H,1H3,(H,6,8)
InChIKeyIGRIIGJFHWGNES-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.49
Rot. Bonds1

About 5-(1-hydroxyethyl)-3H-1,3-thiazol-2-one

5-(1-hydroxyethyl)-3H-1,3-thiazol-2-one (PubChem CID 81456093) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-3H-1,3-thiazol-2-one
PubChem CID81456093
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name5-(1-hydroxyethyl)-3H-1,3-thiazol-2-one
SMILESCC(O)c1c[nH]c(=O)s1
InChIInChI=1S/C5H7NO2S/c1-3(7)4-2-6-5(8)9-4/h2-3,7H,1H3,(H,6,8)
InChIKeyIGRIIGJFHWGNES-UHFFFAOYSA-N
XLogP0.49
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 5-(1-hydroxyethyl)-3H-1,3-thiazol-2-one (CID 81456093) is 5-(1-hydroxyethyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-(1-hydroxyethyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-(1-hydroxyethyl)-3H-1,3-thiazol-2-one is CC(O)c1c[nH]c(=O)s1.
What is the InChIKey of 5-(1-hydroxyethyl)-3H-1,3-thiazol-2-one?
The InChIKey is IGRIIGJFHWGNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c1-3(7)4-2-6-5(8)9-4/h2-3,7H,1H3,(H,6,8).
What are the key properties of 5-(1-hydroxyethyl)-3H-1,3-thiazol-2-one?
5-(1-hydroxyethyl)-3H-1,3-thiazol-2-one has a molecular weight of 145.18 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 81456093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).