5-(azetidin-3-yloxymethyl)-2-methyl-1,3-thiazole

C8H12N2OS — CID 63107388

IUPAC5-(azetidin-3-yloxymethyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(COC2CNC2)s1
InChIInChI=1S/C8H12N2OS/c1-6-10-4-8(12-6)5-11-7-2-9-3-7/h4,7,9H,2-3,5H2,1H3
InChIKeyPYZMZXJSKDQROQ-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.94
Rot. Bonds3

About 5-(azetidin-3-yloxymethyl)-2-methyl-1,3-thiazole

5-(azetidin-3-yloxymethyl)-2-methyl-1,3-thiazole (PubChem CID 63107388) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-(azetidin-3-yloxymethyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(azetidin-3-yloxymethyl)-2-methyl-1,3-thiazole
PubChem CID63107388
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-(azetidin-3-yloxymethyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(COC2CNC2)s1
InChIInChI=1S/C8H12N2OS/c1-6-10-4-8(12-6)5-11-7-2-9-3-7/h4,7,9H,2-3,5H2,1H3
InChIKeyPYZMZXJSKDQROQ-UHFFFAOYSA-N
XLogP0.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxymethyl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(azetidin-3-yloxymethyl)-2-methyl-1,3-thiazole (CID 63107388) is 5-(azetidin-3-yloxymethyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(azetidin-3-yloxymethyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(azetidin-3-yloxymethyl)-2-methyl-1,3-thiazole is Cc1ncc(COC2CNC2)s1.
What is the InChIKey of 5-(azetidin-3-yloxymethyl)-2-methyl-1,3-thiazole?
The InChIKey is PYZMZXJSKDQROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6-10-4-8(12-6)5-11-7-2-9-3-7/h4,7,9H,2-3,5H2,1H3.
What are the key properties of 5-(azetidin-3-yloxymethyl)-2-methyl-1,3-thiazole?
5-(azetidin-3-yloxymethyl)-2-methyl-1,3-thiazole has a molecular weight of 184.26 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxymethyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 63107388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).