5-[diethylamino-(2-ethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C17H22N4O2S — CID 110382260

IUPAC5-[diethylamino-(2-ethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCOc1ccccc1C(c1sc2ncnn2c1O)N(CC)CC
InChIInChI=1S/C17H22N4O2S/c1-4-20(5-2)14(12-9-7-8-10-13(12)23-6-3)15-16(22)21-17(24-15)18-11-19-21/h7-11,14,22H,4-6H2,1-3H3
InChIKeyMJGHVGXOMYYTCS-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.33
Rot. Bonds7

About 5-[diethylamino-(2-ethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[diethylamino-(2-ethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 110382260) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 5-[diethylamino-(2-ethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[diethylamino-(2-ethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID110382260
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name5-[diethylamino-(2-ethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCOc1ccccc1C(c1sc2ncnn2c1O)N(CC)CC
InChIInChI=1S/C17H22N4O2S/c1-4-20(5-2)14(12-9-7-8-10-13(12)23-6-3)15-16(22)21-17(24-15)18-11-19-21/h7-11,14,22H,4-6H2,1-3H3
InChIKeyMJGHVGXOMYYTCS-UHFFFAOYSA-N
XLogP3.33
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[diethylamino-(2-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382153
5-[(2-ethoxyphenyl)-[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381876
5-[diethylamino-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381958
5-[[bis(2-hydroxyethyl)amino]-(2-ethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381578
5-[(2-ethoxy-3-methoxyphenyl)-[2-hydroxyethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381627
5-[(3,4-dimethoxyphenyl)-[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381596
5-[diethylamino-(2,3-dimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381652
5-[(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382151
5-[(2-ethoxy-3-methoxyphenyl)-piperidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381869
5-[[methyl-(1-methylpiperidin-4-yl)amino]-(2-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382220
5-[(4-ethoxy-3-methoxyphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381631
5-[[bis(2-hydroxyethyl)amino]-(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381629

Frequently Asked Questions

What is the IUPAC name of 5-[diethylamino-(2-ethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[diethylamino-(2-ethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 110382260) is 5-[diethylamino-(2-ethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[diethylamino-(2-ethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[diethylamino-(2-ethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCOc1ccccc1C(c1sc2ncnn2c1O)N(CC)CC.
What is the InChIKey of 5-[diethylamino-(2-ethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is MJGHVGXOMYYTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-4-20(5-2)14(12-9-7-8-10-13(12)23-6-3)15-16(22)21-17(24-15)18-11-19-21/h7-11,14,22H,4-6H2,1-3H3.
What are the key properties of 5-[diethylamino-(2-ethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[diethylamino-(2-ethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 346.46 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[diethylamino-(2-ethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 110382260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).