2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-propylacetamide

C20H20FN3O2S — CID 42775870

IUPAC2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-propylacetamide
SMILESCCCNC(=O)Cc1ccc(Oc2nc(Cc3ccc(F)cc3)ns2)cc1
InChIInChI=1S/C20H20FN3O2S/c1-2-11-22-19(25)13-15-5-9-17(10-6-15)26-20-23-18(24-27-20)12-14-3-7-16(21)8-4-14/h3-10H,2,11-13H2,1H3,(H,22,25)
InChIKeyXVEUGIHRWJUUMZ-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.13
Rot. Bonds8

About 2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-propylacetamide

2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-propylacetamide (PubChem CID 42775870) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-propylacetamide
PubChem CID42775870
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-propylacetamide
SMILESCCCNC(=O)Cc1ccc(Oc2nc(Cc3ccc(F)cc3)ns2)cc1
InChIInChI=1S/C20H20FN3O2S/c1-2-11-22-19(25)13-15-5-9-17(10-6-15)26-20-23-18(24-27-20)12-14-3-7-16(21)8-4-14/h3-10H,2,11-13H2,1H3,(H,22,25)
InChIKeyXVEUGIHRWJUUMZ-UHFFFAOYSA-N
XLogP4.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
CID 5099058
2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-1-pyrrolidin-1-ylethanone
CID 42775869
N-benzhydryl-4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]benzamide
CID 5097406
2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-phenylethyl)acetamide
CID 4028093
N-[(2R)-3-methylbutan-2-yl]-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
CID 7238447
2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(pyridin-2-ylmethyl)acetamide
CID 5024625
2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 5228129
2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(1-phenylethyl)acetamide
CID 3509663
N-(3,4-dimethylphenyl)-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
CID 3381077
4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-3-methoxy-N-pentylbenzamide
CID 3260125
2-[4-[(3-benzyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 5028109
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]-N-(2-phenylethyl)benzamide
CID 4304548

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-propylacetamide?
The IUPAC name of 2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-propylacetamide (CID 42775870) is 2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-propylacetamide?
The canonical SMILES for 2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-propylacetamide is CCCNC(=O)Cc1ccc(Oc2nc(Cc3ccc(F)cc3)ns2)cc1.
What is the InChIKey of 2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-propylacetamide?
The InChIKey is XVEUGIHRWJUUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-2-11-22-19(25)13-15-5-9-17(10-6-15)26-20-23-18(24-27-20)12-14-3-7-16(21)8-4-14/h3-10H,2,11-13H2,1H3,(H,22,25).
What are the key properties of 2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-propylacetamide?
2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-propylacetamide has a molecular weight of 385.46 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-propylacetamide is sourced from PubChem (CID 42775870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).