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

C13H14N4OS — CID 95477006

IUPAC6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCCc1ccc(OC)c(-c2csc3nc(N)nn23)c1
InChIInChI=1S/C13H14N4OS/c1-3-8-4-5-11(18-2)9(6-8)10-7-19-13-15-12(14)16-17(10)13/h4-7H,3H2,1-2H3,(H2,14,16)
InChIKeyZBVLGDNDPIAHOA-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.61
Rot. Bonds3

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

6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 95477006) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

Compound Name6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
PubChem CID95477006
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCCc1ccc(OC)c(-c2csc3nc(N)nn23)c1
InChIInChI=1S/C13H14N4OS/c1-3-8-4-5-11(18-2)9(6-8)10-7-19-13-15-12(14)16-17(10)13/h4-7H,3H2,1-2H3,(H2,14,16)
InChIKeyZBVLGDNDPIAHOA-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

2-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
CID 96669658
6-(3-fluoro-4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 82303651
6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 39101233
2-(bromomethyl)-4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole
CID 116970303
6-[4-(2-methylpropyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 95475103
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-[4-(5-ethyl-2-methoxyphenyl)-2-methylimidazol-1-yl]ethanamine
CID 95466234
2-(5-ethyl-2-methoxyphenyl)thiophene
CID 20651347
3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4651407
2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968837
[3-(5-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 98020701

Frequently Asked Questions

What is the IUPAC name of 6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The IUPAC name of 6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 95477006) is 6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.
What is the SMILES notation for 6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The canonical SMILES for 6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is CCc1ccc(OC)c(-c2csc3nc(N)nn23)c1.
What is the InChIKey of 6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The InChIKey is ZBVLGDNDPIAHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-3-8-4-5-11(18-2)9(6-8)10-7-19-13-15-12(14)16-17(10)13/h4-7H,3H2,1-2H3,(H2,14,16).
What are the key properties of 6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-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 6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 95477006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).