5-[(2,6-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C21H28N4O5S — CID 3636451

IUPAC5-[(2,6-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCOc1cc(C(c2sc3nc(C)nn3c2O)N2CC(C)OC(C)C2)cc(OC)c1OC
InChIInChI=1S/C21H28N4O5S/c1-11-9-24(10-12(2)30-11)17(19-20(26)25-21(31-19)22-13(3)23-25)14-7-15(27-4)18(29-6)16(8-14)28-5/h7-8,11-12,17,26H,9-10H2,1-6H3
InChIKeyZIQQCEIFLOXHFL-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.03
Rot. Bonds6

About 5-[(2,6-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[(2,6-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 3636451) has the molecular formula C21H28N4O5S and a molecular weight of 448.55 g/mol. Its IUPAC name is 5-[(2,6-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(2,6-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID3636451
Molecular FormulaC21H28N4O5S
Molecular Weight448.55 g/mol
Exact Mass448.18
IUPAC Name5-[(2,6-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCOc1cc(C(c2sc3nc(C)nn3c2O)N2CC(C)OC(C)C2)cc(OC)c1OC
InChIInChI=1S/C21H28N4O5S/c1-11-9-24(10-12(2)30-11)17(19-20(26)25-21(31-19)22-13(3)23-25)14-7-15(27-4)18(29-6)16(8-14)28-5/h7-8,11-12,17,26H,9-10H2,1-6H3
InChIKeyZIQQCEIFLOXHFL-UHFFFAOYSA-N
XLogP3.03
TPSA90.58 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[(2,6-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-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

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[(2,6-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 3636451) is 5-[(2,6-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[(2,6-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[(2,6-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is COc1cc(C(c2sc3nc(C)nn3c2O)N2CC(C)OC(C)C2)cc(OC)c1OC.
What is the InChIKey of 5-[(2,6-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is ZIQQCEIFLOXHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5S/c1-11-9-24(10-12(2)30-11)17(19-20(26)25-21(31-19)22-13(3)23-25)14-7-15(27-4)18(29-6)16(8-14)28-5/h7-8,11-12,17,26H,9-10H2,1-6H3.
What are the key properties of 5-[(2,6-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(2,6-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 448.55 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 3636451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).