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

C16H20N4O2S — CID 110382153

IUPAC5-[diethylamino-(2-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCN(CC)C(c1ccccc1OC)c1sc2ncnn2c1O
InChIInChI=1S/C16H20N4O2S/c1-4-19(5-2)13(11-8-6-7-9-12(11)22-3)14-15(21)20-16(23-14)17-10-18-20/h6-10,13,21H,4-5H2,1-3H3
InChIKeyGQPAGGGHOSIUTH-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.94
Rot. Bonds6

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

5-[diethylamino-(2-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 110382153) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-[diethylamino-(2-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[diethylamino-(2-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID110382153
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name5-[diethylamino-(2-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCN(CC)C(c1ccccc1OC)c1sc2ncnn2c1O
InChIInChI=1S/C16H20N4O2S/c1-4-19(5-2)13(11-8-6-7-9-12(11)22-3)14-15(21)20-16(23-14)17-10-18-20/h6-10,13,21H,4-5H2,1-3H3
InChIKeyGQPAGGGHOSIUTH-UHFFFAOYSA-N
XLogP2.94
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-[diethylamino-(2-ethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382260
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-[(3,4-dimethoxyphenyl)-[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381596
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-[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-[[bis(2-hydroxyethyl)amino]-(2-ethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381578
5-[[butyl(methyl)amino]-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382143
5-[[cyclohexyl(methyl)amino]-(2,3,4-trimethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 91821637
5-[(S)-[benzyl(methyl)amino]-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7198922

Frequently Asked Questions

What is the IUPAC name of 5-[diethylamino-(2-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[diethylamino-(2-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 110382153) is 5-[diethylamino-(2-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[diethylamino-(2-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[diethylamino-(2-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCN(CC)C(c1ccccc1OC)c1sc2ncnn2c1O.
What is the InChIKey of 5-[diethylamino-(2-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is GQPAGGGHOSIUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-4-19(5-2)13(11-8-6-7-9-12(11)22-3)14-15(21)20-16(23-14)17-10-18-20/h6-10,13,21H,4-5H2,1-3H3.
What are the key properties of 5-[diethylamino-(2-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[diethylamino-(2-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 332.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[diethylamino-(2-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 110382153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).