4-(oxolan-3-yl)-3H-1,3-thiazol-2-one

C7H9NO2S — CID 104752232

IUPAC4-(oxolan-3-yl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(C2CCOC2)cs1
InChIInChI=1S/C7H9NO2S/c9-7-8-6(4-11-7)5-1-2-10-3-5/h4-5H,1-3H2,(H,8,9)
InChIKeyCFBCDKJEZUENCK-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.94
Rot. Bonds1

About 4-(oxolan-3-yl)-3H-1,3-thiazol-2-one

4-(oxolan-3-yl)-3H-1,3-thiazol-2-one (PubChem CID 104752232) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 4-(oxolan-3-yl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(oxolan-3-yl)-3H-1,3-thiazol-2-one
PubChem CID104752232
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name4-(oxolan-3-yl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(C2CCOC2)cs1
InChIInChI=1S/C7H9NO2S/c9-7-8-6(4-11-7)5-1-2-10-3-5/h4-5H,1-3H2,(H,8,9)
InChIKeyCFBCDKJEZUENCK-UHFFFAOYSA-N
XLogP0.94
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(oxolan-3-yl)-3H-1,3-thiazol-2-one (CID 104752232) is 4-(oxolan-3-yl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(oxolan-3-yl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(oxolan-3-yl)-3H-1,3-thiazol-2-one is O=c1[nH]c(C2CCOC2)cs1.
What is the InChIKey of 4-(oxolan-3-yl)-3H-1,3-thiazol-2-one?
The InChIKey is CFBCDKJEZUENCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c9-7-8-6(4-11-7)5-1-2-10-3-5/h4-5H,1-3H2,(H,8,9).
What are the key properties of 4-(oxolan-3-yl)-3H-1,3-thiazol-2-one?
4-(oxolan-3-yl)-3H-1,3-thiazol-2-one has a molecular weight of 171.22 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 104752232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).