2-(2-fluorophenoxy)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide

C18H14FN5O2S — CID 17027422

IUPAC2-(2-fluorophenoxy)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide
SMILESO=C(COc1ccccc1F)NCc1ccc(-c2nn3cnnc3s2)cc1
InChIInChI=1S/C18H14FN5O2S/c19-14-3-1-2-4-15(14)26-10-16(25)20-9-12-5-7-13(8-6-12)17-23-24-11-21-22-18(24)27-17/h1-8,11H,9-10H2,(H,20,25)
InChIKeyDYIIAUWPXRXLLK-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.69
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide

2-(2-fluorophenoxy)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide (PubChem CID 17027422) has the molecular formula C18H14FN5O2S and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide
PubChem CID17027422
Molecular FormulaC18H14FN5O2S
Molecular Weight383.41 g/mol
Exact Mass383.09
IUPAC Name2-(2-fluorophenoxy)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide
SMILESO=C(COc1ccccc1F)NCc1ccc(-c2nn3cnnc3s2)cc1
InChIInChI=1S/C18H14FN5O2S/c19-14-3-1-2-4-15(14)26-10-16(25)20-9-12-5-7-13(8-6-12)17-23-24-11-21-22-18(24)27-17/h1-8,11H,9-10H2,(H,20,25)
InChIKeyDYIIAUWPXRXLLK-UHFFFAOYSA-N
XLogP2.69
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
CID 8947910
methyl 4-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]benzoate
CID 7815449
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
CID 49047342
2-(2,3-dimethylphenoxy)-N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide
CID 17027046
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-fluorophenoxy)acetamide
CID 34315448
2-(2-fluorophenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51306226
2-(2-fluorophenoxy)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]acetamide
CID 110714661
2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165301
N-(benzylcarbamoyl)-2-(2-fluorophenoxy)acetamide
CID 7892017
2-(2-fluorophenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979329
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide (CID 17027422) is 2-(2-fluorophenoxy)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide is O=C(COc1ccccc1F)NCc1ccc(-c2nn3cnnc3s2)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide?
The InChIKey is DYIIAUWPXRXLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2S/c19-14-3-1-2-4-15(14)26-10-16(25)20-9-12-5-7-13(8-6-12)17-23-24-11-21-22-18(24)27-17/h1-8,11H,9-10H2,(H,20,25).
What are the key properties of 2-(2-fluorophenoxy)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide?
2-(2-fluorophenoxy)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide has a molecular weight of 383.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 17027422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).