[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone

C11H16N2O3S — CID 146123255

IUPAC[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCCOC(C)c1ncc(C(=O)N2CC(O)C2)s1
InChIInChI=1S/C11H16N2O3S/c1-3-16-7(2)10-12-4-9(17-10)11(15)13-5-8(14)6-13/h4,7-8,14H,3,5-6H2,1-2H3
InChIKeyKKDMMKIYXXKBAI-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.06
Rot. Bonds4

About [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone

[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 146123255) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID146123255
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESCCOC(C)c1ncc(C(=O)N2CC(O)C2)s1
InChIInChI=1S/C11H16N2O3S/c1-3-16-7(2)10-12-4-9(17-10)11(15)13-5-8(14)6-13/h4,7-8,14H,3,5-6H2,1-2H3
InChIKeyKKDMMKIYXXKBAI-UHFFFAOYSA-N
XLogP1.06
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone (CID 146123255) is [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone is CCOC(C)c1ncc(C(=O)N2CC(O)C2)s1.
What is the InChIKey of [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is KKDMMKIYXXKBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-16-7(2)10-12-4-9(17-10)11(15)13-5-8(14)6-13/h4,7-8,14H,3,5-6H2,1-2H3.
What are the key properties of [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone?
[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 256.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 146123255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).