2-(4-ethylphenoxy)-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide

C16H19N5O2S — CID 53095747

IUPAC2-(4-ethylphenoxy)-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
SMILESCCCc1nnc2sc(NC(=O)COc3ccc(CC)cc3)nn12
InChIInChI=1S/C16H19N5O2S/c1-3-5-13-18-19-16-21(13)20-15(24-16)17-14(22)10-23-12-8-6-11(4-2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,17,20,22)
InChIKeyBNCLHVSHESWOGD-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.72
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide

2-(4-ethylphenoxy)-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide (PubChem CID 53095747) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
PubChem CID53095747
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name2-(4-ethylphenoxy)-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
SMILESCCCc1nnc2sc(NC(=O)COc3ccc(CC)cc3)nn12
InChIInChI=1S/C16H19N5O2S/c1-3-5-13-18-19-16-21(13)20-15(24-16)17-14(22)10-23-12-8-6-11(4-2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,17,20,22)
InChIKeyBNCLHVSHESWOGD-UHFFFAOYSA-N
XLogP2.72
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
CID 22517740
2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991376
2-(4-chlorophenoxy)-N-[4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 4665615
2-bromo-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
CID 53095690
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 16572065
2-(4-ethylphenoxy)-N-[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 4569533
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 5162221
2-(2-methylphenoxy)-N-[3-(2-methylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide
CID 22517911
N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 35573056
2-(4-ethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178444
2-(4-ethylphenoxy)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1382131
2-(4-ethylphenoxy)-N-[2-methoxy-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 17066399

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide (CID 53095747) is 2-(4-ethylphenoxy)-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide is CCCc1nnc2sc(NC(=O)COc3ccc(CC)cc3)nn12.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
The InChIKey is BNCLHVSHESWOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-3-5-13-18-19-16-21(13)20-15(24-16)17-14(22)10-23-12-8-6-11(4-2)7-9-12/h6-9H,3-5,10H2,1-2H3,(H,17,20,22).
What are the key properties of 2-(4-ethylphenoxy)-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
2-(4-ethylphenoxy)-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide has a molecular weight of 345.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide is sourced from PubChem (CID 53095747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).