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

C17H20FN3O2S — CID 75521244

IUPAC4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-2-yl)morpholine
SMILESFc1ccc(Cc2nnc(N3CCOC(C4CCCO4)C3)s2)cc1
InChIInChI=1S/C17H20FN3O2S/c18-13-5-3-12(4-6-13)10-16-19-20-17(24-16)21-7-9-23-15(11-21)14-2-1-8-22-14/h3-6,14-15H,1-2,7-11H2
InChIKeyWOZCOJUEKGZDGG-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.65
Rot. Bonds4

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

4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-2-yl)morpholine (PubChem CID 75521244) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-2-yl)morpholine.

Molecular Properties

Compound Name4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-2-yl)morpholine
PubChem CID75521244
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-2-yl)morpholine
SMILESFc1ccc(Cc2nnc(N3CCOC(C4CCCO4)C3)s2)cc1
InChIInChI=1S/C17H20FN3O2S/c18-13-5-3-12(4-6-13)10-16-19-20-17(24-16)21-7-9-23-15(11-21)14-2-1-8-22-14/h3-6,14-15H,1-2,7-11H2
InChIKeyWOZCOJUEKGZDGG-UHFFFAOYSA-N
XLogP2.65
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-2-yl)morpholine?
The IUPAC name of 4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-2-yl)morpholine (CID 75521244) is 4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-2-yl)morpholine.
What is the SMILES notation for 4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-2-yl)morpholine?
The canonical SMILES for 4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-2-yl)morpholine is Fc1ccc(Cc2nnc(N3CCOC(C4CCCO4)C3)s2)cc1.
What is the InChIKey of 4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-2-yl)morpholine?
The InChIKey is WOZCOJUEKGZDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c18-13-5-3-12(4-6-13)10-16-19-20-17(24-16)21-7-9-23-15(11-21)14-2-1-8-22-14/h3-6,14-15H,1-2,7-11H2.
What are the key properties of 4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-2-yl)morpholine?
4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-2-yl)morpholine has a molecular weight of 349.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(oxolan-2-yl)morpholine is sourced from PubChem (CID 75521244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).