5-(azetidin-3-yloxymethyl)-2,4-dimethyl-1,3-thiazole

C9H14N2OS — CID 122241636

IUPAC5-(azetidin-3-yloxymethyl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(COC2CNC2)s1
InChIInChI=1S/C9H14N2OS/c1-6-9(13-7(2)11-6)5-12-8-3-10-4-8/h8,10H,3-5H2,1-2H3
InChIKeySGUGKXHXOZXOQA-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.25
Rot. Bonds3

About 5-(azetidin-3-yloxymethyl)-2,4-dimethyl-1,3-thiazole

5-(azetidin-3-yloxymethyl)-2,4-dimethyl-1,3-thiazole (PubChem CID 122241636) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 5-(azetidin-3-yloxymethyl)-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-(azetidin-3-yloxymethyl)-2,4-dimethyl-1,3-thiazole
PubChem CID122241636
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name5-(azetidin-3-yloxymethyl)-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(COC2CNC2)s1
InChIInChI=1S/C9H14N2OS/c1-6-9(13-7(2)11-6)5-12-8-3-10-4-8/h8,10H,3-5H2,1-2H3
InChIKeySGUGKXHXOZXOQA-UHFFFAOYSA-N
XLogP1.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.25
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)-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-(azetidin-3-yloxymethyl)-2,4-dimethyl-1,3-thiazole (CID 122241636) is 5-(azetidin-3-yloxymethyl)-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-(azetidin-3-yloxymethyl)-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-(azetidin-3-yloxymethyl)-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(COC2CNC2)s1.
What is the InChIKey of 5-(azetidin-3-yloxymethyl)-2,4-dimethyl-1,3-thiazole?
The InChIKey is SGUGKXHXOZXOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-9(13-7(2)11-6)5-12-8-3-10-4-8/h8,10H,3-5H2,1-2H3.
What are the key properties of 5-(azetidin-3-yloxymethyl)-2,4-dimethyl-1,3-thiazole?
5-(azetidin-3-yloxymethyl)-2,4-dimethyl-1,3-thiazole has a molecular weight of 198.29 g/mol, XLogP of 1.25, 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)-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 122241636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).