[3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C15H16N2O3S — CID 70785183

IUPAC[3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCOc1ccccc1OC1CN(C(=O)c2scnc2C)C1
InChIInChI=1S/C15H16N2O3S/c1-10-14(21-9-16-10)15(18)17-7-11(8-17)20-13-6-4-3-5-12(13)19-2/h3-6,9,11H,7-8H2,1-2H3
InChIKeyPILCCRYIFHVDLG-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.36
Rot. Bonds4

About [3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 70785183) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is [3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID70785183
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name[3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCOc1ccccc1OC1CN(C(=O)c2scnc2C)C1
InChIInChI=1S/C15H16N2O3S/c1-10-14(21-9-16-10)15(18)17-7-11(8-17)20-13-6-4-3-5-12(13)19-2/h3-6,9,11H,7-8H2,1-2H3
InChIKeyPILCCRYIFHVDLG-UHFFFAOYSA-N
XLogP2.36
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 70785183) is [3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is COc1ccccc1OC1CN(C(=O)c2scnc2C)C1.
What is the InChIKey of [3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is PILCCRYIFHVDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-14(21-9-16-10)15(18)17-7-11(8-17)20-13-6-4-3-5-12(13)19-2/h3-6,9,11H,7-8H2,1-2H3.
What are the key properties of [3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 304.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 70785183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).