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

C13H13N5O2S — CID 22517910

IUPAC2-(2-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
SMILESCc1ccccc1OCC(=O)Nc1nn2c(C)nnc2s1
InChIInChI=1S/C13H13N5O2S/c1-8-5-3-4-6-10(8)20-7-11(19)14-12-17-18-9(2)15-16-13(18)21-12/h3-6H,7H2,1-2H3,(H,14,17,19)
InChIKeyOIHPFDQGUXBNHQ-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.82
Rot. Bonds4

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

2-(2-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide (PubChem CID 22517910) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
PubChem CID22517910
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name2-(2-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
SMILESCc1ccccc1OCC(=O)Nc1nn2c(C)nnc2s1
InChIInChI=1S/C13H13N5O2S/c1-8-5-3-4-6-10(8)20-7-11(19)14-12-17-18-9(2)15-16-13(18)21-12/h3-6H,7H2,1-2H3,(H,14,17,19)
InChIKeyOIHPFDQGUXBNHQ-UHFFFAOYSA-N
XLogP1.82
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide (CID 22517910) is 2-(2-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide is Cc1ccccc1OCC(=O)Nc1nn2c(C)nnc2s1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
The InChIKey is OIHPFDQGUXBNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-8-5-3-4-6-10(8)20-7-11(19)14-12-17-18-9(2)15-16-13(18)21-12/h3-6H,7H2,1-2H3,(H,14,17,19).
What are the key properties of 2-(2-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide?
2-(2-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide has a molecular weight of 303.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide is sourced from PubChem (CID 22517910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).