2-[1-[2-(3-fluorophenoxy)ethyl]azetidin-3-yl]-1,3-benzothiazole

C18H17FN2OS — CID 71920988

IUPAC2-[1-[2-(3-fluorophenoxy)ethyl]azetidin-3-yl]-1,3-benzothiazole
SMILESFc1cccc(OCCN2CC(c3nc4ccccc4s3)C2)c1
InChIInChI=1S/C18H17FN2OS/c19-14-4-3-5-15(10-14)22-9-8-21-11-13(12-21)18-20-16-6-1-2-7-17(16)23-18/h1-7,10,13H,8-9,11-12H2
InChIKeyRRSMFWBDPJCGRS-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.91
Rot. Bonds5

About 2-[1-[2-(3-fluorophenoxy)ethyl]azetidin-3-yl]-1,3-benzothiazole

2-[1-[2-(3-fluorophenoxy)ethyl]azetidin-3-yl]-1,3-benzothiazole (PubChem CID 71920988) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[1-[2-(3-fluorophenoxy)ethyl]azetidin-3-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-[2-(3-fluorophenoxy)ethyl]azetidin-3-yl]-1,3-benzothiazole
PubChem CID71920988
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name2-[1-[2-(3-fluorophenoxy)ethyl]azetidin-3-yl]-1,3-benzothiazole
SMILESFc1cccc(OCCN2CC(c3nc4ccccc4s3)C2)c1
InChIInChI=1S/C18H17FN2OS/c19-14-4-3-5-15(10-14)22-9-8-21-11-13(12-21)18-20-16-6-1-2-7-17(16)23-18/h1-7,10,13H,8-9,11-12H2
InChIKeyRRSMFWBDPJCGRS-UHFFFAOYSA-N
XLogP3.91
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-fluorophenoxy)ethyl]azetidin-3-yl]-1,3-benzothiazole?
The IUPAC name of 2-[1-[2-(3-fluorophenoxy)ethyl]azetidin-3-yl]-1,3-benzothiazole (CID 71920988) is 2-[1-[2-(3-fluorophenoxy)ethyl]azetidin-3-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-[2-(3-fluorophenoxy)ethyl]azetidin-3-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-[2-(3-fluorophenoxy)ethyl]azetidin-3-yl]-1,3-benzothiazole is Fc1cccc(OCCN2CC(c3nc4ccccc4s3)C2)c1.
What is the InChIKey of 2-[1-[2-(3-fluorophenoxy)ethyl]azetidin-3-yl]-1,3-benzothiazole?
The InChIKey is RRSMFWBDPJCGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS/c19-14-4-3-5-15(10-14)22-9-8-21-11-13(12-21)18-20-16-6-1-2-7-17(16)23-18/h1-7,10,13H,8-9,11-12H2.
What are the key properties of 2-[1-[2-(3-fluorophenoxy)ethyl]azetidin-3-yl]-1,3-benzothiazole?
2-[1-[2-(3-fluorophenoxy)ethyl]azetidin-3-yl]-1,3-benzothiazole has a molecular weight of 328.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-fluorophenoxy)ethyl]azetidin-3-yl]-1,3-benzothiazole is sourced from PubChem (CID 71920988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).