3-[[(2S)-oxiran-2-yl]methyl]-1,3-thiazol-2-one

C6H7NO2S — CID 130493068

IUPAC3-[[(2S)-oxiran-2-yl]methyl]-1,3-thiazol-2-one
SMILESO=c1sccn1C[C@H]1CO1
InChIInChI=1S/C6H7NO2S/c8-6-7(1-2-10-6)3-5-4-9-5/h1-2,5H,3-4H2/t5-/m0/s1
InChIKeyRXKPVVFFPUROKO-YFKPBYRVSA-N
MW157.19 g/mol
LogP0.31
Rot. Bonds2

About 3-[[(2S)-oxiran-2-yl]methyl]-1,3-thiazol-2-one

3-[[(2S)-oxiran-2-yl]methyl]-1,3-thiazol-2-one (PubChem CID 130493068) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-[[(2S)-oxiran-2-yl]methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[[(2S)-oxiran-2-yl]methyl]-1,3-thiazol-2-one
PubChem CID130493068
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name3-[[(2S)-oxiran-2-yl]methyl]-1,3-thiazol-2-one
SMILESO=c1sccn1C[C@H]1CO1
InChIInChI=1S/C6H7NO2S/c8-6-7(1-2-10-6)3-5-4-9-5/h1-2,5H,3-4H2/t5-/m0/s1
InChIKeyRXKPVVFFPUROKO-YFKPBYRVSA-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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Related Compounds

3-(Oxiran-2-ylmethyl)-1,3-thiazol-2-one
CID 63312927
3-(2-Methoxypropyl)-1,3-thiazol-2-one
CID 104096624
3-[2-(Oxiran-2-yl)ethyl]-1,3-thiazol-2-one
CID 130575476

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-oxiran-2-yl]methyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[[(2S)-oxiran-2-yl]methyl]-1,3-thiazol-2-one (CID 130493068) is 3-[[(2S)-oxiran-2-yl]methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[[(2S)-oxiran-2-yl]methyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[[(2S)-oxiran-2-yl]methyl]-1,3-thiazol-2-one is O=c1sccn1C[C@H]1CO1.
What is the InChIKey of 3-[[(2S)-oxiran-2-yl]methyl]-1,3-thiazol-2-one?
The InChIKey is RXKPVVFFPUROKO-YFKPBYRVSA-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/t5-/m0/s1.
What are the key properties of 3-[[(2S)-oxiran-2-yl]methyl]-1,3-thiazol-2-one?
3-[[(2S)-oxiran-2-yl]methyl]-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-[[(2S)-oxiran-2-yl]methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 130493068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).