5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1,3-thiazole

C13H12F2N2OS — CID 134792843

IUPAC5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccc(OC2CN(Cc3cncs3)C2)cc1F
InChIInChI=1S/C13H12F2N2OS/c14-12-2-1-9(3-13(12)15)18-10-5-17(6-10)7-11-4-16-8-19-11/h1-4,8,10H,5-7H2
InChIKeyFRPOVLORCMRZTR-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.68
Rot. Bonds4

About 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1,3-thiazole

5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1,3-thiazole (PubChem CID 134792843) has the molecular formula C13H12F2N2OS and a molecular weight of 282.31 g/mol. Its IUPAC name is 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1,3-thiazole
PubChem CID134792843
Molecular FormulaC13H12F2N2OS
Molecular Weight282.31 g/mol
Exact Mass282.06
IUPAC Name5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccc(OC2CN(Cc3cncs3)C2)cc1F
InChIInChI=1S/C13H12F2N2OS/c14-12-2-1-9(3-13(12)15)18-10-5-17(6-10)7-11-4-16-8-19-11/h1-4,8,10H,5-7H2
InChIKeyFRPOVLORCMRZTR-UHFFFAOYSA-N
XLogP2.68
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1,3-thiazole (CID 134792843) is 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1,3-thiazole is Fc1ccc(OC2CN(Cc3cncs3)C2)cc1F.
What is the InChIKey of 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is FRPOVLORCMRZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2OS/c14-12-2-1-9(3-13(12)15)18-10-5-17(6-10)7-11-4-16-8-19-11/h1-4,8,10H,5-7H2.
What are the key properties of 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1,3-thiazole?
5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 282.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3,4-difluorophenoxy)azetidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 134792843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).