2-(oxan-4-yl)-1,3-thiazol-4-ol

C8H11NO2S — CID 116889850

IUPAC2-(oxan-4-yl)-1,3-thiazol-4-ol
SMILESOc1csc(C2CCOCC2)n1
InChIInChI=1S/C8H11NO2S/c10-7-5-12-8(9-7)6-1-3-11-4-2-6/h5-6,10H,1-4H2
InChIKeyBYWIYDYOVORMKQ-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.74
Rot. Bonds1

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

2-(oxan-4-yl)-1,3-thiazol-4-ol (PubChem CID 116889850) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(oxan-4-yl)-1,3-thiazol-4-ol
PubChem CID116889850
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-(oxan-4-yl)-1,3-thiazol-4-ol
SMILESOc1csc(C2CCOCC2)n1
InChIInChI=1S/C8H11NO2S/c10-7-5-12-8(9-7)6-1-3-11-4-2-6/h5-6,10H,1-4H2
InChIKeyBYWIYDYOVORMKQ-UHFFFAOYSA-N
XLogP1.74
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(oxan-4-yl)-1,3-thiazol-4-ol (CID 116889850) is 2-(oxan-4-yl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(oxan-4-yl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(oxan-4-yl)-1,3-thiazol-4-ol is Oc1csc(C2CCOCC2)n1.
What is the InChIKey of 2-(oxan-4-yl)-1,3-thiazol-4-ol?
The InChIKey is BYWIYDYOVORMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c10-7-5-12-8(9-7)6-1-3-11-4-2-6/h5-6,10H,1-4H2.
What are the key properties of 2-(oxan-4-yl)-1,3-thiazol-4-ol?
2-(oxan-4-yl)-1,3-thiazol-4-ol has a molecular weight of 185.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1,3-thiazol-4-ol is sourced from PubChem (CID 116889850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).