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

C8H11NO2S — CID 116966131

IUPAC4-(oxan-4-yl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(C2CCOCC2)cs1
InChIInChI=1S/C8H11NO2S/c10-8-9-7(5-12-8)6-1-3-11-4-2-6/h5-6H,1-4H2,(H,9,10)
InChIKeyKRHUQQYJDKMACP-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.33
Rot. Bonds1

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

4-(oxan-4-yl)-3H-1,3-thiazol-2-one (PubChem CID 116966131) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-(oxan-4-yl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(oxan-4-yl)-3H-1,3-thiazol-2-one
PubChem CID116966131
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name4-(oxan-4-yl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(C2CCOCC2)cs1
InChIInChI=1S/C8H11NO2S/c10-8-9-7(5-12-8)6-1-3-11-4-2-6/h5-6H,1-4H2,(H,9,10)
InChIKeyKRHUQQYJDKMACP-UHFFFAOYSA-N
XLogP1.33
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(oxan-4-yl)-3H-1,3-thiazol-2-one (CID 116966131) is 4-(oxan-4-yl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(oxan-4-yl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(oxan-4-yl)-3H-1,3-thiazol-2-one is O=c1[nH]c(C2CCOCC2)cs1.
What is the InChIKey of 4-(oxan-4-yl)-3H-1,3-thiazol-2-one?
The InChIKey is KRHUQQYJDKMACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c10-8-9-7(5-12-8)6-1-3-11-4-2-6/h5-6H,1-4H2,(H,9,10).
What are the key properties of 4-(oxan-4-yl)-3H-1,3-thiazol-2-one?
4-(oxan-4-yl)-3H-1,3-thiazol-2-one has a molecular weight of 185.25 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 116966131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).