3-(1,2-thiazol-5-ylmethyl)oxan-4-ol

C9H13NO2S — CID 164654966

IUPAC3-(1,2-thiazol-5-ylmethyl)oxan-4-ol
SMILESOC1CCOCC1Cc1ccns1
InChIInChI=1S/C9H13NO2S/c11-9-2-4-12-6-7(9)5-8-1-3-10-13-8/h1,3,7,9,11H,2,4-6H2
InChIKeyWWSNDZNYAXCHNK-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.08
Rot. Bonds2

About 3-(1,2-thiazol-5-ylmethyl)oxan-4-ol

3-(1,2-thiazol-5-ylmethyl)oxan-4-ol (PubChem CID 164654966) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 3-(1,2-thiazol-5-ylmethyl)oxan-4-ol.

Molecular Properties

Compound Name3-(1,2-thiazol-5-ylmethyl)oxan-4-ol
PubChem CID164654966
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name3-(1,2-thiazol-5-ylmethyl)oxan-4-ol
SMILESOC1CCOCC1Cc1ccns1
InChIInChI=1S/C9H13NO2S/c11-9-2-4-12-6-7(9)5-8-1-3-10-13-8/h1,3,7,9,11H,2,4-6H2
InChIKeyWWSNDZNYAXCHNK-UHFFFAOYSA-N
XLogP1.08
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-thiazol-5-ylmethyl)oxan-4-ol?
The IUPAC name of 3-(1,2-thiazol-5-ylmethyl)oxan-4-ol (CID 164654966) is 3-(1,2-thiazol-5-ylmethyl)oxan-4-ol.
What is the SMILES notation for 3-(1,2-thiazol-5-ylmethyl)oxan-4-ol?
The canonical SMILES for 3-(1,2-thiazol-5-ylmethyl)oxan-4-ol is OC1CCOCC1Cc1ccns1.
What is the InChIKey of 3-(1,2-thiazol-5-ylmethyl)oxan-4-ol?
The InChIKey is WWSNDZNYAXCHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c11-9-2-4-12-6-7(9)5-8-1-3-10-13-8/h1,3,7,9,11H,2,4-6H2.
What are the key properties of 3-(1,2-thiazol-5-ylmethyl)oxan-4-ol?
3-(1,2-thiazol-5-ylmethyl)oxan-4-ol has a molecular weight of 199.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-thiazol-5-ylmethyl)oxan-4-ol is sourced from PubChem (CID 164654966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).