2-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine

C13H14N4OS — CID 96669658

IUPAC2-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
SMILESCCc1ccc(OC)c(-c2nc3scc(N)n3n2)c1
InChIInChI=1S/C13H14N4OS/c1-3-8-4-5-10(18-2)9(6-8)12-15-13-17(16-12)11(14)7-19-13/h4-7H,3,14H2,1-2H3
InChIKeyWZAWTRGVYBTKGZ-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.61
Rot. Bonds3

About 2-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine

2-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine (PubChem CID 96669658) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine.

Molecular Properties

Compound Name2-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
PubChem CID96669658
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
SMILESCCc1ccc(OC)c(-c2nc3scc(N)n3n2)c1
InChIInChI=1S/C13H14N4OS/c1-3-8-4-5-10(18-2)9(6-8)12-15-13-17(16-12)11(14)7-19-13/h4-7H,3,14H2,1-2H3
InChIKeyWZAWTRGVYBTKGZ-UHFFFAOYSA-N
XLogP2.61
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 95477006
2-(bromomethyl)-4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole
CID 116970303
4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine
CID 82480643
[2-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-4-yl]methanethiol
CID 116889475
2-(2,3,5,6-tetramethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
CID 96668673
2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968837
2-[4-(5-ethyl-2-methoxyphenyl)-2-methylimidazol-1-yl]ethanamine
CID 95466234
5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole
CID 116869035
2-(5-ethyl-2-methoxyphenyl)thiophene
CID 20651347
[2-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
CID 82484595
2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine
CID 116904266
2-tert-butyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
CID 82469235

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
The IUPAC name of 2-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine (CID 96669658) is 2-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine.
What is the SMILES notation for 2-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
The canonical SMILES for 2-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine is CCc1ccc(OC)c(-c2nc3scc(N)n3n2)c1.
What is the InChIKey of 2-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
The InChIKey is WZAWTRGVYBTKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-3-8-4-5-10(18-2)9(6-8)12-15-13-17(16-12)11(14)7-19-13/h4-7H,3,14H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
2-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine has a molecular weight of 274.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine is sourced from PubChem (CID 96669658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).