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

C15H16N2O3S — CID 90627458

IUPAC2-(3-methoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CC(Oc3nccs3)C2)c1
InChIInChI=1S/C15H16N2O3S/c1-19-12-4-2-3-11(7-12)8-14(18)17-9-13(10-17)20-15-16-5-6-21-15/h2-7,13H,8-10H2,1H3
InChIKeyUFYNWGPZCVHAHP-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.98
Rot. Bonds5

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

2-(3-methoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone (PubChem CID 90627458) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone
PubChem CID90627458
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-(3-methoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CC(Oc3nccs3)C2)c1
InChIInChI=1S/C15H16N2O3S/c1-19-12-4-2-3-11(7-12)8-14(18)17-9-13(10-17)20-15-16-5-6-21-15/h2-7,13H,8-10H2,1H3
InChIKeyUFYNWGPZCVHAHP-UHFFFAOYSA-N
XLogP1.98
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-methoxyphenyl)acetyl]-N-methylazetidine-3-carboxamide
CID 136532081
1-[(3R,5S)-3,5-diaminopiperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 118550657
2-(3-methoxyphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638339
2-(1,3-benzodioxol-5-yl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150602
2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone
CID 91905478
N-(3-methoxyphenyl)-2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]acetamide
CID 163345188
1-[(3aR,4S,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(3-methoxyphenyl)ethanone
CID 110142297
N-(2-methoxyphenyl)-3-(1,3-thiazol-2-yloxy)azetidine-1-carboxamide
CID 90627691
2-(3-methoxyphenyl)-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798155
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone
CID 110706988
2-(4-propan-2-ylsulfonylphenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]ethanone
CID 121150397
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone (CID 90627458) is 2-(3-methoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone is COc1cccc(CC(=O)N2CC(Oc3nccs3)C2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone?
The InChIKey is UFYNWGPZCVHAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-19-12-4-2-3-11(7-12)8-14(18)17-9-13(10-17)20-15-16-5-6-21-15/h2-7,13H,8-10H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone?
2-(3-methoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone has a molecular weight of 304.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]ethanone is sourced from PubChem (CID 90627458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).