(2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone

C15H16N2O3S — CID 90627456

IUPAC(2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CC(Oc2nccs2)C1
InChIInChI=1S/C15H16N2O3S/c1-2-19-13-6-4-3-5-12(13)14(18)17-9-11(10-17)20-15-16-7-8-21-15/h3-8,11H,2,9-10H2,1H3
InChIKeyLIXKBYHUAOBKRE-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.45
Rot. Bonds5

About (2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone

(2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (PubChem CID 90627456) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
PubChem CID90627456
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name(2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CC(Oc2nccs2)C1
InChIInChI=1S/C15H16N2O3S/c1-2-19-13-6-4-3-5-12(13)14(18)17-9-11(10-17)20-15-16-7-8-21-15/h3-8,11H,2,9-10H2,1H3
InChIKeyLIXKBYHUAOBKRE-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 90627573
(2-ethoxyphenyl)-[3-(triazol-2-yl)azetidin-1-yl]methanone
CID 131701893
methyl 2-[3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carbonyl]benzoate
CID 121150532
[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 121150557
(5-bromo-2-chlorophenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 90627581
N-(2-methoxyphenyl)-3-(1,3-thiazol-2-yloxy)azetidine-1-carboxamide
CID 90627691
(2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
CID 53034644
(6-methyl-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 154781940
(2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150505
N-phenyl-3-(1,3-thiazol-2-yloxy)azetidine-1-carboxamide
CID 90627669
[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 90627450
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone
CID 103576058

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone (CID 90627456) is (2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is CCOc1ccccc1C(=O)N1CC(Oc2nccs2)C1.
What is the InChIKey of (2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
The InChIKey is LIXKBYHUAOBKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-2-19-13-6-4-3-5-12(13)14(18)17-9-11(10-17)20-15-16-7-8-21-15/h3-8,11H,2,9-10H2,1H3.
What are the key properties of (2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone?
(2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone has a molecular weight of 304.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone is sourced from PubChem (CID 90627456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).