2-(2-fluorophenoxy)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone

C14H13FN2O3S — CID 73168846

IUPAC2-(2-fluorophenoxy)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone
SMILESO=C(COc1ccccc1F)N1CC(Oc2nccs2)C1
InChIInChI=1S/C14H13FN2O3S/c15-11-3-1-2-4-12(11)19-9-13(18)17-7-10(8-17)20-14-16-5-6-21-14/h1-6,10H,7-9H2
InChIKeyADKSBCNFVLUPKB-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.95
Rot. Bonds5

About 2-(2-fluorophenoxy)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone

2-(2-fluorophenoxy)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone (PubChem CID 73168846) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone
PubChem CID73168846
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name2-(2-fluorophenoxy)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone
SMILESO=C(COc1ccccc1F)N1CC(Oc2nccs2)C1
InChIInChI=1S/C14H13FN2O3S/c15-11-3-1-2-4-12(11)19-9-13(18)17-7-10(8-17)20-14-16-5-6-21-14/h1-6,10H,7-9H2
InChIKeyADKSBCNFVLUPKB-UHFFFAOYSA-N
XLogP1.95
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone (CID 73168846) is 2-(2-fluorophenoxy)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone is O=C(COc1ccccc1F)N1CC(Oc2nccs2)C1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone?
The InChIKey is ADKSBCNFVLUPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c15-11-3-1-2-4-12(11)19-9-13(18)17-7-10(8-17)20-14-16-5-6-21-14/h1-6,10H,7-9H2.
What are the key properties of 2-(2-fluorophenoxy)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone?
2-(2-fluorophenoxy)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone has a molecular weight of 308.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone is sourced from PubChem (CID 73168846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).