4-[4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine

C13H14FN3O2S — CID 43949553

IUPAC4-[4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
SMILESFc1cccc(COc2nsnc2N2CCOCC2)c1
InChIInChI=1S/C13H14FN3O2S/c14-11-3-1-2-10(8-11)9-19-13-12(15-20-16-13)17-4-6-18-7-5-17/h1-3,8H,4-7,9H2
InChIKeyFLAWVFIBRMZKQU-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.09
Rot. Bonds4

About 4-[4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine

4-[4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine (PubChem CID 43949553) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
PubChem CID43949553
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name4-[4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
SMILESFc1cccc(COc2nsnc2N2CCOCC2)c1
InChIInChI=1S/C13H14FN3O2S/c14-11-3-1-2-10(8-11)9-19-13-12(15-20-16-13)17-4-6-18-7-5-17/h1-3,8H,4-7,9H2
InChIKeyFLAWVFIBRMZKQU-UHFFFAOYSA-N
XLogP2.09
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-p-Tolyloxy-[1,2,5]thiadiazol-3-yl)-morpholine
CID 641399
(4-Morpholin-4-yl-1,2,5-thiadiazol-3-yl) benzoate
CID 674516
4-[4-(Benzyloxy)-1,2,5-thiadiazol-3-yl]morpholine
CID 1088923
4-(4-Phenoxy-1,2,5-thiadiazol-3-yl)morpholine
CID 641396
2-Fluorobenzyl 4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl ether
CID 16643986
3-(Azepan-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949442
3-(Azepan-1-yl)-4-[(2-chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949456
3-(Azepan-1-yl)-4-[(2-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949465
3-(Azepan-1-yl)-4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949468
3-[(4-Fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
CID 43949474
3-[(2-Chloro-6-fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
CID 43949488
3-[(2-Fluorophenyl)methoxy]-4-pyrrolidin-1-yl-1,2,5-thiadiazole
CID 43949497

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
The IUPAC name of 4-[4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine (CID 43949553) is 4-[4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine.
What is the SMILES notation for 4-[4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
The canonical SMILES for 4-[4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine is Fc1cccc(COc2nsnc2N2CCOCC2)c1.
What is the InChIKey of 4-[4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
The InChIKey is FLAWVFIBRMZKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c14-11-3-1-2-10(8-11)9-19-13-12(15-20-16-13)17-4-6-18-7-5-17/h1-3,8H,4-7,9H2.
What are the key properties of 4-[4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
4-[4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine has a molecular weight of 295.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine is sourced from PubChem (CID 43949553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).