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

C16H20N4O3S — CID 3236241

IUPAC5-[(2,6-dimethylmorpholin-4-yl)-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3ccco3)N3CC(C)OC(C)C3)c(O)n2n1
InChIInChI=1S/C16H20N4O3S/c1-9-7-19(8-10(2)23-9)13(12-5-4-6-22-12)14-15(21)20-16(24-14)17-11(3)18-20/h4-6,9-10,13,21H,7-8H2,1-3H3
InChIKeyXKKMSEXHHUBQRP-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.60
Rot. Bonds3

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

5-[(2,6-dimethylmorpholin-4-yl)-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 3236241) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-[(2,6-dimethylmorpholin-4-yl)-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(2,6-dimethylmorpholin-4-yl)-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID3236241
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name5-[(2,6-dimethylmorpholin-4-yl)-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3ccco3)N3CC(C)OC(C)C3)c(O)n2n1
InChIInChI=1S/C16H20N4O3S/c1-9-7-19(8-10(2)23-9)13(12-5-4-6-22-12)14-15(21)20-16(24-14)17-11(3)18-20/h4-6,9-10,13,21H,7-8H2,1-3H3
InChIKeyXKKMSEXHHUBQRP-UHFFFAOYSA-N
XLogP2.60
TPSA76.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(2,6-dimethylmorpholin-4-yl)-(furan-2-yl)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)-(furan-2-yl)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)-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 3236241) is 5-[(2,6-dimethylmorpholin-4-yl)-(furan-2-yl)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)-(furan-2-yl)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)-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1nc2sc(C(c3ccco3)N3CC(C)OC(C)C3)c(O)n2n1.
What is the InChIKey of 5-[(2,6-dimethylmorpholin-4-yl)-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is XKKMSEXHHUBQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-9-7-19(8-10(2)23-9)13(12-5-4-6-22-12)14-15(21)20-16(24-14)17-11(3)18-20/h4-6,9-10,13,21H,7-8H2,1-3H3.
What are the key properties of 5-[(2,6-dimethylmorpholin-4-yl)-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(2,6-dimethylmorpholin-4-yl)-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 348.43 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylmorpholin-4-yl)-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 3236241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).