4-[4-[(2-chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine

C13H13ClFN3O2S — CID 43949545

IUPAC4-[4-[(2-chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
SMILESFc1cccc(Cl)c1COc1nsnc1N1CCOCC1
InChIInChI=1S/C13H13ClFN3O2S/c14-10-2-1-3-11(15)9(10)8-20-13-12(16-21-17-13)18-4-6-19-7-5-18/h1-3H,4-8H2
InChIKeyHFUBBBHXSWNIHJ-UHFFFAOYSA-N
MW329.78 g/mol
LogP2.75
Rot. Bonds4

About 4-[4-[(2-chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine

4-[4-[(2-chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine (PubChem CID 43949545) has the molecular formula C13H13ClFN3O2S and a molecular weight of 329.78 g/mol. Its IUPAC name is 4-[4-[(2-chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[4-[(2-chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
PubChem CID43949545
Molecular FormulaC13H13ClFN3O2S
Molecular Weight329.78 g/mol
Exact Mass329.04
IUPAC Name4-[4-[(2-chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
SMILESFc1cccc(Cl)c1COc1nsnc1N1CCOCC1
InChIInChI=1S/C13H13ClFN3O2S/c14-10-2-1-3-11(15)9(10)8-20-13-12(16-21-17-13)18-4-6-19-7-5-18/h1-3H,4-8H2
InChIKeyHFUBBBHXSWNIHJ-UHFFFAOYSA-N
XLogP2.75
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
The IUPAC name of 4-[4-[(2-chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine (CID 43949545) is 4-[4-[(2-chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine.
What is the SMILES notation for 4-[4-[(2-chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
The canonical SMILES for 4-[4-[(2-chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine is Fc1cccc(Cl)c1COc1nsnc1N1CCOCC1.
What is the InChIKey of 4-[4-[(2-chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
The InChIKey is HFUBBBHXSWNIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2S/c14-10-2-1-3-11(15)9(10)8-20-13-12(16-21-17-13)18-4-6-19-7-5-18/h1-3H,4-8H2.
What are the key properties of 4-[4-[(2-chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine?
4-[4-[(2-chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine has a molecular weight of 329.78 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-chloro-6-fluorophenyl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine is sourced from PubChem (CID 43949545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).