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

C7H10N2OS — CID 67154481

IUPAC2-(azetidin-3-yloxymethyl)-1,3-thiazole
SMILESc1csc(COC2CNC2)n1
InChIInChI=1S/C7H10N2OS/c1-2-11-7(9-1)5-10-6-3-8-4-6/h1-2,6,8H,3-5H2
InChIKeyBUVCQZXCMKASNX-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.63
Rot. Bonds3

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

2-(azetidin-3-yloxymethyl)-1,3-thiazole (PubChem CID 67154481) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-(azetidin-3-yloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(azetidin-3-yloxymethyl)-1,3-thiazole
PubChem CID67154481
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-(azetidin-3-yloxymethyl)-1,3-thiazole
SMILESc1csc(COC2CNC2)n1
InChIInChI=1S/C7H10N2OS/c1-2-11-7(9-1)5-10-6-3-8-4-6/h1-2,6,8H,3-5H2
InChIKeyBUVCQZXCMKASNX-UHFFFAOYSA-N
XLogP0.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(Pyrrolidin-3-yloxy)methyl]-1,3-thiazole
CID 75356563
2-(1,3-Thiazol-2-yl)morpholine
CID 53414274
2-(Azetidin-3-yloxy)-1,3-thiazole
CID 50988284
2-(Azetidin-3-yloxy)-1,3-thiazole dihydrochloride
CID 50988283
2-(Thiazol-2-yl)-4,5-dihydrooxazole
CID 57298035
2-[1-(3-Fluoropropyl)azetidin-3-yl]oxy-1,3-thiazole
CID 176014945
N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490393
2-(2,2-difluoroethoxy)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 103081271
(2-Methoxy-ethyl)-thiazol-2-ylmethyl-amine
CID 4777651
(1R)-2-(methylamino)-1-(1,3-thiazol-2-yl)ethanol
CID 10125085
2-(Ethoxymethyl)-1,3-thiazole
CID 17902831
2-Methoxy-2-(1,3-thiazol-2-yl)ethanethioamide
CID 21486875

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yloxymethyl)-1,3-thiazole?
The IUPAC name of 2-(azetidin-3-yloxymethyl)-1,3-thiazole (CID 67154481) is 2-(azetidin-3-yloxymethyl)-1,3-thiazole.
What is the SMILES notation for 2-(azetidin-3-yloxymethyl)-1,3-thiazole?
The canonical SMILES for 2-(azetidin-3-yloxymethyl)-1,3-thiazole is c1csc(COC2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-yloxymethyl)-1,3-thiazole?
The InChIKey is BUVCQZXCMKASNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-2-11-7(9-1)5-10-6-3-8-4-6/h1-2,6,8H,3-5H2.
What are the key properties of 2-(azetidin-3-yloxymethyl)-1,3-thiazole?
2-(azetidin-3-yloxymethyl)-1,3-thiazole has a molecular weight of 170.24 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yloxymethyl)-1,3-thiazole is sourced from PubChem (CID 67154481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).