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

C16H19N5O2S — CID 22517911

IUPAC2-(2-methylphenoxy)-N-[3-(2-methylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1nn2c(CC(C)C)nnc2s1
InChIInChI=1S/C16H19N5O2S/c1-10(2)8-13-18-19-16-21(13)20-15(24-16)17-14(22)9-23-12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3,(H,17,20,22)
InChIKeyMUSSRZUDZZPOAL-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.71
Rot. Bonds6

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

2-(2-methylphenoxy)-N-[3-(2-methylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide (PubChem CID 22517911) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[3-(2-methylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[3-(2-methylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide
PubChem CID22517911
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name2-(2-methylphenoxy)-N-[3-(2-methylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1nn2c(CC(C)C)nnc2s1
InChIInChI=1S/C16H19N5O2S/c1-10(2)8-13-18-19-16-21(13)20-15(24-16)17-14(22)9-23-12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3,(H,17,20,22)
InChIKeyMUSSRZUDZZPOAL-UHFFFAOYSA-N
XLogP2.71
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-methylphenoxy)-N-[3-(2-methylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114261
N-[[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylphenyl]carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 3737257
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 16548028
2-(4-ethylphenoxy)-N-(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
CID 53095747
methyl 4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 3146505
2-(2,3-dimethylphenoxy)-N-[4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 4013795
2-(2-methylphenoxy)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19217708
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 23760784
2-(3-methylphenoxy)-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
CID 22517920
2-(2-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7915788
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 19173020
2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19178770

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[3-(2-methylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[3-(2-methylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide (CID 22517911) is 2-(2-methylphenoxy)-N-[3-(2-methylpropyl)-[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-(2-methylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[3-(2-methylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide is Cc1ccccc1OCC(=O)Nc1nn2c(CC(C)C)nnc2s1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[3-(2-methylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide?
The InChIKey is MUSSRZUDZZPOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-10(2)8-13-18-19-16-21(13)20-15(24-16)17-14(22)9-23-12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3,(H,17,20,22).
What are the key properties of 2-(2-methylphenoxy)-N-[3-(2-methylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide?
2-(2-methylphenoxy)-N-[3-(2-methylpropyl)-[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 2.71, 6 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-(2-methylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]acetamide is sourced from PubChem (CID 22517911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).