3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazol-2-one

C7H11NO3S — CID 63312410

IUPAC3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazol-2-one
SMILESO=c1sccn1CCOCCO
InChIInChI=1S/C7H11NO3S/c9-3-5-11-4-1-8-2-6-12-7(8)10/h2,6,9H,1,3-5H2
InChIKeyXCQXWUOFJPKEBE-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.08
Rot. Bonds5

About 3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazol-2-one

3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazol-2-one (PubChem CID 63312410) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazol-2-one
PubChem CID63312410
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazol-2-one
SMILESO=c1sccn1CCOCCO
InChIInChI=1S/C7H11NO3S/c9-3-5-11-4-1-8-2-6-12-7(8)10/h2,6,9H,1,3-5H2
InChIKeyXCQXWUOFJPKEBE-UHFFFAOYSA-N
XLogP-0.08
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazol-2-one (CID 63312410) is 3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazol-2-one is O=c1sccn1CCOCCO.
What is the InChIKey of 3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazol-2-one?
The InChIKey is XCQXWUOFJPKEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c9-3-5-11-4-1-8-2-6-12-7(8)10/h2,6,9H,1,3-5H2.
What are the key properties of 3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazol-2-one?
3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazol-2-one has a molecular weight of 189.24 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 63312410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).