3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one

C6H7NO2S — CID 63312927

IUPAC3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CC1CO1
InChIInChI=1S/C6H7NO2S/c8-6-7(1-2-10-6)3-5-4-9-5/h1-2,5H,3-4H2
InChIKeyRXKPVVFFPUROKO-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.31
Rot. Bonds2

About 3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one

3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one (PubChem CID 63312927) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one
PubChem CID63312927
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CC1CO1
InChIInChI=1S/C6H7NO2S/c8-6-7(1-2-10-6)3-5-4-9-5/h1-2,5H,3-4H2
InChIKeyRXKPVVFFPUROKO-UHFFFAOYSA-N
XLogP0.31
TPSA34.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one (CID 63312927) is 3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one is O=c1sccn1CC1CO1.
What is the InChIKey of 3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one?
The InChIKey is RXKPVVFFPUROKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c8-6-7(1-2-10-6)3-5-4-9-5/h1-2,5H,3-4H2.
What are the key properties of 3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one?
3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one has a molecular weight of 157.19 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-ylmethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 63312927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).