2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide

C15H11FN4O2S — CID 1402105

IUPAC2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C15H11FN4O2S/c16-11-1-3-12(4-2-11)22-9-13(21)18-15-20-19-14(23-15)10-5-7-17-8-6-10/h1-8H,9H2,(H,18,20,21)
InChIKeyVTEPZEONRNPAAH-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.76
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 1402105) has the molecular formula C15H11FN4O2S and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID1402105
Molecular FormulaC15H11FN4O2S
Molecular Weight330.34 g/mol
Exact Mass330.06
IUPAC Name2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C15H11FN4O2S/c16-11-1-3-12(4-2-11)22-9-13(21)18-15-20-19-14(23-15)10-5-7-17-8-6-10/h1-8H,9H2,(H,18,20,21)
InChIKeyVTEPZEONRNPAAH-UHFFFAOYSA-N
XLogP2.76
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-Pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929361
N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 860547
2-(3-fluorophenoxy)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 8123755
1-(4-Methoxyphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
CID 705307
N-(2-Methoxy-ethyl)-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 644535
N-Methyl-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 651096
N-Ethyl-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 655154
2-(2-Fluoro-phenoxy)-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 921459
1-(phenoxyacetyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970599
2-(4-bromophenoxy)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2309669
2-(4-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 18127531
2-(3-fluorophenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 8123627

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 1402105) is 2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide is O=C(COc1ccc(F)cc1)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is VTEPZEONRNPAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2S/c16-11-1-3-12(4-2-11)22-9-13(21)18-15-20-19-14(23-15)10-5-7-17-8-6-10/h1-8H,9H2,(H,18,20,21).
What are the key properties of 2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 330.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 1402105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).