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

C20H26N4O4S — CID 4299103

IUPAC5-[(3,4-dimethoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCOc1ccc(C(c2sc3nc(C)nn3c2O)N2CC(C)OC(C)C2)cc1OC
InChIInChI=1S/C20H26N4O4S/c1-11-9-23(10-12(2)28-11)17(14-6-7-15(26-4)16(8-14)27-5)18-19(25)24-20(29-18)21-13(3)22-24/h6-8,11-12,17,25H,9-10H2,1-5H3
InChIKeyHPWZRYPYZLSORA-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.02
Rot. Bonds5

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

5-[(3,4-dimethoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 4299103) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 5-[(3,4-dimethoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(3,4-dimethoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID4299103
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name5-[(3,4-dimethoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCOc1ccc(C(c2sc3nc(C)nn3c2O)N2CC(C)OC(C)C2)cc1OC
InChIInChI=1S/C20H26N4O4S/c1-11-9-23(10-12(2)28-11)17(14-6-7-15(26-4)16(8-14)27-5)18-19(25)24-20(29-18)21-13(3)22-24/h6-8,11-12,17,25H,9-10H2,1-5H3
InChIKeyHPWZRYPYZLSORA-UHFFFAOYSA-N
XLogP3.02
TPSA81.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[(3,4-dimethoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol with MolForge

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Related Compounds

5-[(4-Methoxyphenyl)-piperidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3322087
5-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl(3,4,5-trimethoxyphenyl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3241803
5-((3,5-Dimethylpiperidin-1-yl)(3,4,5-trimethoxyphenyl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3636449
2-Methyl-5-(morpholino(3,4,5-trimethoxyphenyl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3636450
5-((2,6-Dimethylmorpholino)(3,4,5-trimethoxyphenyl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3636451
2-Methyl-5-[(4-phenyl-1-piperazinyl)-(3,4,5-trimethoxyphenyl)methyl]-6-thiazolo[3,2-b][1,2,4]triazolol
CID 3636712
5-((2,6-Dimethylmorpholino)(3-methoxyphenyl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3651965
1-((3,4-Dimethoxyphenyl)(6-hydroxy-2-methylthiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)piperidine-4-carboxamide
CID 4049132
Ethyl 1-((6-hydroxy-2-methylthiazolo[3,2-b][1,2,4]triazol-5-yl)(3-methoxyphenyl)methyl)piperidine-4-carboxylate
CID 4549783
5-((4-Benzylpiperazin-1-yl)(3,4-dimethoxyphenyl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4997938
5-[(3,4-Dimethoxyphenyl)-[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-2-methyl-6-thiazolo[3,2-b][1,2,4]triazolol
CID 5063649
5-((3,4-Dimethoxyphenyl)(4-hydroxypiperidin-1-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol
CID 5068602

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[(3,4-dimethoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 4299103) is 5-[(3,4-dimethoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[(3,4-dimethoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[(3,4-dimethoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is COc1ccc(C(c2sc3nc(C)nn3c2O)N2CC(C)OC(C)C2)cc1OC.
What is the InChIKey of 5-[(3,4-dimethoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is HPWZRYPYZLSORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-11-9-23(10-12(2)28-11)17(14-6-7-15(26-4)16(8-14)27-5)18-19(25)24-20(29-18)21-13(3)22-24/h6-8,11-12,17,25H,9-10H2,1-5H3.
What are the key properties of 5-[(3,4-dimethoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(3,4-dimethoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 418.52 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxyphenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 4299103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).