2-(azetidin-3-yloxy)-1,3-thiazole;dihydrochloride

C6H10Cl2N2OS — CID 50988283

IUPAC2-(azetidin-3-yloxy)-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1csc(OC2CNC2)n1
InChIInChI=1S/C6H8N2OS.2ClH/c1-2-10-6(8-1)9-5-3-7-4-5;;/h1-2,5,7H,3-4H2;2*1H
InChIKeyJJCMJHBDJLYNTC-UHFFFAOYSA-N
MW229.13 g/mol
LogP1.34
Rot. Bonds2

About 2-(azetidin-3-yloxy)-1,3-thiazole;dihydrochloride

2-(azetidin-3-yloxy)-1,3-thiazole;dihydrochloride (PubChem CID 50988283) has the molecular formula C6H10Cl2N2OS and a molecular weight of 229.13 g/mol. Its IUPAC name is 2-(azetidin-3-yloxy)-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name2-(azetidin-3-yloxy)-1,3-thiazole;dihydrochloride
PubChem CID50988283
Molecular FormulaC6H10Cl2N2OS
Molecular Weight229.13 g/mol
Exact Mass227.99
IUPAC Name2-(azetidin-3-yloxy)-1,3-thiazole;dihydrochloride
SMILESCl.Cl.c1csc(OC2CNC2)n1
InChIInChI=1S/C6H8N2OS.2ClH/c1-2-10-6(8-1)9-5-3-7-4-5;;/h1-2,5,7H,3-4H2;2*1H
InChIKeyJJCMJHBDJLYNTC-UHFFFAOYSA-N
XLogP1.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.13
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yloxy)-1,3-thiazole;dihydrochloride?
The IUPAC name of 2-(azetidin-3-yloxy)-1,3-thiazole;dihydrochloride (CID 50988283) is 2-(azetidin-3-yloxy)-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 2-(azetidin-3-yloxy)-1,3-thiazole;dihydrochloride?
The canonical SMILES for 2-(azetidin-3-yloxy)-1,3-thiazole;dihydrochloride is Cl.Cl.c1csc(OC2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-yloxy)-1,3-thiazole;dihydrochloride?
The InChIKey is JJCMJHBDJLYNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS.2ClH/c1-2-10-6(8-1)9-5-3-7-4-5;;/h1-2,5,7H,3-4H2;2*1H.
What are the key properties of 2-(azetidin-3-yloxy)-1,3-thiazole;dihydrochloride?
2-(azetidin-3-yloxy)-1,3-thiazole;dihydrochloride has a molecular weight of 229.13 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yloxy)-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 50988283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).