2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methyl-1,3-thiazole

C14H16N2O2S — CID 70780976

IUPAC2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methyl-1,3-thiazole
SMILESCOc1ccccc1OC1CN(c2nc(C)cs2)C1
InChIInChI=1S/C14H16N2O2S/c1-10-9-19-14(15-10)16-7-11(8-16)18-13-6-4-3-5-12(13)17-2/h3-6,9,11H,7-8H2,1-2H3
InChIKeyIKJDLRNZEDZIIQ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.73
Rot. Bonds4

About 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methyl-1,3-thiazole

2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methyl-1,3-thiazole (PubChem CID 70780976) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methyl-1,3-thiazole
PubChem CID70780976
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methyl-1,3-thiazole
SMILESCOc1ccccc1OC1CN(c2nc(C)cs2)C1
InChIInChI=1S/C14H16N2O2S/c1-10-9-19-14(15-10)16-7-11(8-16)18-13-6-4-3-5-12(13)17-2/h3-6,9,11H,7-8H2,1-2H3
InChIKeyIKJDLRNZEDZIIQ-UHFFFAOYSA-N
XLogP2.73
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methyl-1,3-thiazole (CID 70780976) is 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methyl-1,3-thiazole is COc1ccccc1OC1CN(c2nc(C)cs2)C1.
What is the InChIKey of 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methyl-1,3-thiazole?
The InChIKey is IKJDLRNZEDZIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-9-19-14(15-10)16-7-11(8-16)18-13-6-4-3-5-12(13)17-2/h3-6,9,11H,7-8H2,1-2H3.
What are the key properties of 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methyl-1,3-thiazole?
2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methyl-1,3-thiazole has a molecular weight of 276.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenoxy)azetidin-1-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 70780976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).