4-[(3-methylazetidin-3-yl)oxymethyl]-2-propan-2-yl-1,3-thiazole

C11H18N2OS — CID 83065750

IUPAC4-[(3-methylazetidin-3-yl)oxymethyl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(COC2(C)CNC2)cs1
InChIInChI=1S/C11H18N2OS/c1-8(2)10-13-9(5-15-10)4-14-11(3)6-12-7-11/h5,8,12H,4,6-7H2,1-3H3
InChIKeyAMYZIVKOZWABNM-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.14
Rot. Bonds4

About 4-[(3-methylazetidin-3-yl)oxymethyl]-2-propan-2-yl-1,3-thiazole

4-[(3-methylazetidin-3-yl)oxymethyl]-2-propan-2-yl-1,3-thiazole (PubChem CID 83065750) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-[(3-methylazetidin-3-yl)oxymethyl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-methylazetidin-3-yl)oxymethyl]-2-propan-2-yl-1,3-thiazole
PubChem CID83065750
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-[(3-methylazetidin-3-yl)oxymethyl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(COC2(C)CNC2)cs1
InChIInChI=1S/C11H18N2OS/c1-8(2)10-13-9(5-15-10)4-14-11(3)6-12-7-11/h5,8,12H,4,6-7H2,1-3H3
InChIKeyAMYZIVKOZWABNM-UHFFFAOYSA-N
XLogP2.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylazetidin-3-yl)oxymethyl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-[(3-methylazetidin-3-yl)oxymethyl]-2-propan-2-yl-1,3-thiazole (CID 83065750) is 4-[(3-methylazetidin-3-yl)oxymethyl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(3-methylazetidin-3-yl)oxymethyl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(3-methylazetidin-3-yl)oxymethyl]-2-propan-2-yl-1,3-thiazole is CC(C)c1nc(COC2(C)CNC2)cs1.
What is the InChIKey of 4-[(3-methylazetidin-3-yl)oxymethyl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is AMYZIVKOZWABNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(2)10-13-9(5-15-10)4-14-11(3)6-12-7-11/h5,8,12H,4,6-7H2,1-3H3.
What are the key properties of 4-[(3-methylazetidin-3-yl)oxymethyl]-2-propan-2-yl-1,3-thiazole?
4-[(3-methylazetidin-3-yl)oxymethyl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 226.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylazetidin-3-yl)oxymethyl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 83065750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).