5-(2-methoxyphenyl)-2-(1-methylazetidin-3-yl)-1,3-thiazole

C14H16N2OS — CID 166936018

IUPAC5-(2-methoxyphenyl)-2-(1-methylazetidin-3-yl)-1,3-thiazole
SMILESCOc1ccccc1-c1cnc(C2CN(C)C2)s1
InChIInChI=1S/C14H16N2OS/c1-16-8-10(9-16)14-15-7-13(18-14)11-5-3-4-6-12(11)17-2/h3-7,10H,8-9H2,1-2H3
InChIKeyOBBDEPWZUSYXJJ-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.85
Rot. Bonds3

About 5-(2-methoxyphenyl)-2-(1-methylazetidin-3-yl)-1,3-thiazole

5-(2-methoxyphenyl)-2-(1-methylazetidin-3-yl)-1,3-thiazole (PubChem CID 166936018) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-2-(1-methylazetidin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-2-(1-methylazetidin-3-yl)-1,3-thiazole
PubChem CID166936018
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name5-(2-methoxyphenyl)-2-(1-methylazetidin-3-yl)-1,3-thiazole
SMILESCOc1ccccc1-c1cnc(C2CN(C)C2)s1
InChIInChI=1S/C14H16N2OS/c1-16-8-10(9-16)14-15-7-13(18-14)11-5-3-4-6-12(11)17-2/h3-7,10H,8-9H2,1-2H3
InChIKeyOBBDEPWZUSYXJJ-UHFFFAOYSA-N
XLogP2.85
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-2-(1-methylazetidin-3-yl)-1,3-thiazole?
The IUPAC name of 5-(2-methoxyphenyl)-2-(1-methylazetidin-3-yl)-1,3-thiazole (CID 166936018) is 5-(2-methoxyphenyl)-2-(1-methylazetidin-3-yl)-1,3-thiazole.
What is the SMILES notation for 5-(2-methoxyphenyl)-2-(1-methylazetidin-3-yl)-1,3-thiazole?
The canonical SMILES for 5-(2-methoxyphenyl)-2-(1-methylazetidin-3-yl)-1,3-thiazole is COc1ccccc1-c1cnc(C2CN(C)C2)s1.
What is the InChIKey of 5-(2-methoxyphenyl)-2-(1-methylazetidin-3-yl)-1,3-thiazole?
The InChIKey is OBBDEPWZUSYXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-16-8-10(9-16)14-15-7-13(18-14)11-5-3-4-6-12(11)17-2/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 5-(2-methoxyphenyl)-2-(1-methylazetidin-3-yl)-1,3-thiazole?
5-(2-methoxyphenyl)-2-(1-methylazetidin-3-yl)-1,3-thiazole has a molecular weight of 260.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-2-(1-methylazetidin-3-yl)-1,3-thiazole is sourced from PubChem (CID 166936018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).