2-(2-fluorophenoxy)-1-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]ethanone

C19H17FN2O4S — CID 71796263

IUPAC2-(2-fluorophenoxy)-1-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]ethanone
SMILESCOc1cccc2sc(OC3CN(C(=O)COc4ccccc4F)C3)nc12
InChIInChI=1S/C19H17FN2O4S/c1-24-15-7-4-8-16-18(15)21-19(27-16)26-12-9-22(10-12)17(23)11-25-14-6-3-2-5-13(14)20/h2-8,12H,9-11H2,1H3
InChIKeyCVLMMZALZXLFQU-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.11
Rot. Bonds6

About 2-(2-fluorophenoxy)-1-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]ethanone

2-(2-fluorophenoxy)-1-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]ethanone (PubChem CID 71796263) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]ethanone
PubChem CID71796263
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC Name2-(2-fluorophenoxy)-1-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]ethanone
SMILESCOc1cccc2sc(OC3CN(C(=O)COc4ccccc4F)C3)nc12
InChIInChI=1S/C19H17FN2O4S/c1-24-15-7-4-8-16-18(15)21-19(27-16)26-12-9-22(10-12)17(23)11-25-14-6-3-2-5-13(14)20/h2-8,12H,9-11H2,1H3
InChIKeyCVLMMZALZXLFQU-UHFFFAOYSA-N
XLogP3.11
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-fluorophenoxy)-1-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]ethanone with MolForge

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Related Compounds

[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 71796269
tert-butyl 3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidine-1-carboxylate
CID 91624003
(7-methoxy-1-benzofuran-2-yl)-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone
CID 71796254
3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide
CID 71796315
N-(1,3-benzothiazol-2-yl)-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512571
(E)-1-[3-[(4-fluoro-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]-3-phenylprop-2-en-1-one
CID 71796162
2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-4-methoxy-1,3-benzothiazole
CID 71796353
2-(2-fluorophenoxy)-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 90637391
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124589814
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]ethanone
CID 56765768
2-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]acetic acid
CID 64604597
2-(2-methylphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249550

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]ethanone (CID 71796263) is 2-(2-fluorophenoxy)-1-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]ethanone is COc1cccc2sc(OC3CN(C(=O)COc4ccccc4F)C3)nc12.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]ethanone?
The InChIKey is CVLMMZALZXLFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c1-24-15-7-4-8-16-18(15)21-19(27-16)26-12-9-22(10-12)17(23)11-25-14-6-3-2-5-13(14)20/h2-8,12H,9-11H2,1H3.
What are the key properties of 2-(2-fluorophenoxy)-1-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]ethanone?
2-(2-fluorophenoxy)-1-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]ethanone has a molecular weight of 388.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]ethanone is sourced from PubChem (CID 71796263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).