(5S)-5-(1,3-thiazol-2-yl)oxolan-2-one

C7H7NO2S — CID 71354365

IUPAC(5S)-5-(1,3-thiazol-2-yl)oxolan-2-one
SMILESO=C1CC[C@@H](c2nccs2)O1
InChIInChI=1S/C7H7NO2S/c9-6-2-1-5(10-6)7-8-3-4-11-7/h3-5H,1-2H2/t5-/m0/s1
InChIKeyHLKDVGANNOBXFQ-YFKPBYRVSA-N
MW169.21 g/mol
LogP1.52
Rot. Bonds1

About (5S)-5-(1,3-thiazol-2-yl)oxolan-2-one

(5S)-5-(1,3-thiazol-2-yl)oxolan-2-one (PubChem CID 71354365) has the molecular formula C7H7NO2S and a molecular weight of 169.21 g/mol. Its IUPAC name is (5S)-5-(1,3-thiazol-2-yl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(1,3-thiazol-2-yl)oxolan-2-one
PubChem CID71354365
Molecular FormulaC7H7NO2S
Molecular Weight169.21 g/mol
Exact Mass169.02
IUPAC Name(5S)-5-(1,3-thiazol-2-yl)oxolan-2-one
SMILESO=C1CC[C@@H](c2nccs2)O1
InChIInChI=1S/C7H7NO2S/c9-6-2-1-5(10-6)7-8-3-4-11-7/h3-5H,1-2H2/t5-/m0/s1
InChIKeyHLKDVGANNOBXFQ-YFKPBYRVSA-N
XLogP1.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1,3-thiazol-2-yl)oxolan-2-one?
The IUPAC name of (5S)-5-(1,3-thiazol-2-yl)oxolan-2-one (CID 71354365) is (5S)-5-(1,3-thiazol-2-yl)oxolan-2-one.
What is the SMILES notation for (5S)-5-(1,3-thiazol-2-yl)oxolan-2-one?
The canonical SMILES for (5S)-5-(1,3-thiazol-2-yl)oxolan-2-one is O=C1CC[C@@H](c2nccs2)O1.
What is the InChIKey of (5S)-5-(1,3-thiazol-2-yl)oxolan-2-one?
The InChIKey is HLKDVGANNOBXFQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H7NO2S/c9-6-2-1-5(10-6)7-8-3-4-11-7/h3-5H,1-2H2/t5-/m0/s1.
What are the key properties of (5S)-5-(1,3-thiazol-2-yl)oxolan-2-one?
(5S)-5-(1,3-thiazol-2-yl)oxolan-2-one has a molecular weight of 169.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1,3-thiazol-2-yl)oxolan-2-one is sourced from PubChem (CID 71354365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).