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

C17H14N4O3S — CID 55807297

IUPAC2-(3-acetylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)Nc2nnc(-c3ccccn3)s2)c1
InChIInChI=1S/C17H14N4O3S/c1-11(22)12-5-4-6-13(9-12)24-10-15(23)19-17-21-20-16(25-17)14-7-2-3-8-18-14/h2-9H,10H2,1H3,(H,19,21,23)
InChIKeyLTHGIHSOARTNMF-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.82
Rot. Bonds6

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

2-(3-acetylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 55807297) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID55807297
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name2-(3-acetylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)c1cccc(OCC(=O)Nc2nnc(-c3ccccn3)s2)c1
InChIInChI=1S/C17H14N4O3S/c1-11(22)12-5-4-6-13(9-12)24-10-15(23)19-17-21-20-16(25-17)14-7-2-3-8-18-14/h2-9H,10H2,1H3,(H,19,21,23)
InChIKeyLTHGIHSOARTNMF-UHFFFAOYSA-N
XLogP2.82
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-acetylphenoxy)-N-pyridin-2-ylacetamide
CID 82312002
2-(3-acetylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2673036
2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 40628702
2-(3-acetylphenoxy)-N-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 2644465
4-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 47251913
2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2701448
2-(2-butan-2-ylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 55810418
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
2-(2-methoxyethylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 119855748
N-[3-[[2-(3-acetylphenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 39187397
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941
2-(3-acetylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7937389

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 55807297) is 2-(3-acetylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(=O)c1cccc(OCC(=O)Nc2nnc(-c3ccccn3)s2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is LTHGIHSOARTNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c1-11(22)12-5-4-6-13(9-12)24-10-15(23)19-17-21-20-16(25-17)14-7-2-3-8-18-14/h2-9H,10H2,1H3,(H,19,21,23).
What are the key properties of 2-(3-acetylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(3-acetylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 354.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 55807297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).