1-(oxan-2-yloxy)-3-(1,3-thiazol-2-yl)propan-2-ol

C11H17NO3S — CID 15475349

IUPAC1-(oxan-2-yloxy)-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESOC(COC1CCCCO1)Cc1nccs1
InChIInChI=1S/C11H17NO3S/c13-9(7-10-12-4-6-16-10)8-15-11-3-1-2-5-14-11/h4,6,9,11,13H,1-3,5,7-8H2
InChIKeyZFHYVJXIHXFYNV-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.59
Rot. Bonds5

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

1-(oxan-2-yloxy)-3-(1,3-thiazol-2-yl)propan-2-ol (PubChem CID 15475349) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(oxan-2-yloxy)-3-(1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(oxan-2-yloxy)-3-(1,3-thiazol-2-yl)propan-2-ol
PubChem CID15475349
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name1-(oxan-2-yloxy)-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESOC(COC1CCCCO1)Cc1nccs1
InChIInChI=1S/C11H17NO3S/c13-9(7-10-12-4-6-16-10)8-15-11-3-1-2-5-14-11/h4,6,9,11,13H,1-3,5,7-8H2
InChIKeyZFHYVJXIHXFYNV-UHFFFAOYSA-N
XLogP1.59
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yloxy)-3-(1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-(oxan-2-yloxy)-3-(1,3-thiazol-2-yl)propan-2-ol (CID 15475349) is 1-(oxan-2-yloxy)-3-(1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(oxan-2-yloxy)-3-(1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(oxan-2-yloxy)-3-(1,3-thiazol-2-yl)propan-2-ol is OC(COC1CCCCO1)Cc1nccs1.
What is the InChIKey of 1-(oxan-2-yloxy)-3-(1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is ZFHYVJXIHXFYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c13-9(7-10-12-4-6-16-10)8-15-11-3-1-2-5-14-11/h4,6,9,11,13H,1-3,5,7-8H2.
What are the key properties of 1-(oxan-2-yloxy)-3-(1,3-thiazol-2-yl)propan-2-ol?
1-(oxan-2-yloxy)-3-(1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 243.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yloxy)-3-(1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 15475349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).