2-(4-ethoxyphenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)acetamide

C14H15N5O2S — CID 110401704

IUPAC2-(4-ethoxyphenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)acetamide
SMILESCCOc1ccc(CC(=O)NCc2nn3cnnc3s2)cc1
InChIInChI=1S/C14H15N5O2S/c1-2-21-11-5-3-10(4-6-11)7-12(20)15-8-13-18-19-9-16-17-14(19)22-13/h3-6,9H,2,7-8H2,1H3,(H,15,20)
InChIKeyHBEFIYNWFMSWFP-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.44
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)acetamide

2-(4-ethoxyphenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)acetamide (PubChem CID 110401704) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)acetamide
PubChem CID110401704
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name2-(4-ethoxyphenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)acetamide
SMILESCCOc1ccc(CC(=O)NCc2nn3cnnc3s2)cc1
InChIInChI=1S/C14H15N5O2S/c1-2-21-11-5-3-10(4-6-11)7-12(20)15-8-13-18-19-9-16-17-14(19)22-13/h3-6,9H,2,7-8H2,1H3,(H,15,20)
InChIKeyHBEFIYNWFMSWFP-UHFFFAOYSA-N
XLogP1.44
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 110746438
2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
CID 110401691
phenyl N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)carbamate
CID 110401742
2-(4-ethoxyphenyl)-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532281
2-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17172905
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108573115
2-(4-ethoxyphenyl)-N-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 6489551
2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426208
2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473
2-bromo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
CID 110401681
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 26078765

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)acetamide (CID 110401704) is 2-(4-ethoxyphenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)acetamide is CCOc1ccc(CC(=O)NCc2nn3cnnc3s2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)acetamide?
The InChIKey is HBEFIYNWFMSWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-2-21-11-5-3-10(4-6-11)7-12(20)15-8-13-18-19-9-16-17-14(19)22-13/h3-6,9H,2,7-8H2,1H3,(H,15,20).
What are the key properties of 2-(4-ethoxyphenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)acetamide?
2-(4-ethoxyphenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)acetamide has a molecular weight of 317.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)acetamide is sourced from PubChem (CID 110401704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).