3-(4-hydroxybutyl)-1,3-thiazol-2-one

C7H11NO2S — CID 63312362

IUPAC3-(4-hydroxybutyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CCCCO
InChIInChI=1S/C7H11NO2S/c9-5-2-1-3-8-4-6-11-7(8)10/h4,6,9H,1-3,5H2
InChIKeyMOZPRZNMYBAJES-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.68
Rot. Bonds4

About 3-(4-hydroxybutyl)-1,3-thiazol-2-one

3-(4-hydroxybutyl)-1,3-thiazol-2-one (PubChem CID 63312362) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-(4-hydroxybutyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(4-hydroxybutyl)-1,3-thiazol-2-one
PubChem CID63312362
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name3-(4-hydroxybutyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CCCCO
InChIInChI=1S/C7H11NO2S/c9-5-2-1-3-8-4-6-11-7(8)10/h4,6,9H,1-3,5H2
InChIKeyMOZPRZNMYBAJES-UHFFFAOYSA-N
XLogP0.68
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-hydroxybutyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(4-hydroxybutyl)-1,3-thiazol-2-one (CID 63312362) is 3-(4-hydroxybutyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(4-hydroxybutyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(4-hydroxybutyl)-1,3-thiazol-2-one is O=c1sccn1CCCCO.
What is the InChIKey of 3-(4-hydroxybutyl)-1,3-thiazol-2-one?
The InChIKey is MOZPRZNMYBAJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c9-5-2-1-3-8-4-6-11-7(8)10/h4,6,9H,1-3,5H2.
What are the key properties of 3-(4-hydroxybutyl)-1,3-thiazol-2-one?
3-(4-hydroxybutyl)-1,3-thiazol-2-one has a molecular weight of 173.24 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybutyl)-1,3-thiazol-2-one is sourced from PubChem (CID 63312362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).