5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-4-propan-2-ylthiadiazole

C15H18FN3OS — CID 91829948

IUPAC5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-4-propan-2-ylthiadiazole
SMILESCC(C)c1nnsc1CN1CC(Oc2ccccc2F)C1
InChIInChI=1S/C15H18FN3OS/c1-10(2)15-14(21-18-17-15)9-19-7-11(8-19)20-13-6-4-3-5-12(13)16/h3-6,10-11H,7-9H2,1-2H3
InChIKeyQTOFHPZOGKGBDJ-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.06
Rot. Bonds5

About 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-4-propan-2-ylthiadiazole

5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-4-propan-2-ylthiadiazole (PubChem CID 91829948) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-4-propan-2-ylthiadiazole.

Molecular Properties

Compound Name5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-4-propan-2-ylthiadiazole
PubChem CID91829948
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-4-propan-2-ylthiadiazole
SMILESCC(C)c1nnsc1CN1CC(Oc2ccccc2F)C1
InChIInChI=1S/C15H18FN3OS/c1-10(2)15-14(21-18-17-15)9-19-7-11(8-19)20-13-6-4-3-5-12(13)16/h3-6,10-11H,7-9H2,1-2H3
InChIKeyQTOFHPZOGKGBDJ-UHFFFAOYSA-N
XLogP3.06
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-4-propan-2-ylthiadiazole?
The IUPAC name of 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-4-propan-2-ylthiadiazole (CID 91829948) is 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-4-propan-2-ylthiadiazole.
What is the SMILES notation for 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-4-propan-2-ylthiadiazole?
The canonical SMILES for 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-4-propan-2-ylthiadiazole is CC(C)c1nnsc1CN1CC(Oc2ccccc2F)C1.
What is the InChIKey of 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-4-propan-2-ylthiadiazole?
The InChIKey is QTOFHPZOGKGBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-10(2)15-14(21-18-17-15)9-19-7-11(8-19)20-13-6-4-3-5-12(13)16/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-4-propan-2-ylthiadiazole?
5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-4-propan-2-ylthiadiazole has a molecular weight of 307.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-4-propan-2-ylthiadiazole is sourced from PubChem (CID 91829948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).