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

C18H22N4O3S — CID 3651965

IUPAC5-[(2,6-dimethylmorpholin-4-yl)-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCOc1cccc(C(c2sc3ncnn3c2O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C18H22N4O3S/c1-11-8-21(9-12(2)25-11)15(13-5-4-6-14(7-13)24-3)16-17(23)22-18(26-16)19-10-20-22/h4-7,10-12,15,23H,8-9H2,1-3H3
InChIKeyCHYVAKAFGGCNES-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.70
Rot. Bonds4

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

5-[(2,6-dimethylmorpholin-4-yl)-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 3651965) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 5-[(2,6-dimethylmorpholin-4-yl)-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(2,6-dimethylmorpholin-4-yl)-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID3651965
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name5-[(2,6-dimethylmorpholin-4-yl)-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCOc1cccc(C(c2sc3ncnn3c2O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C18H22N4O3S/c1-11-8-21(9-12(2)25-11)15(13-5-4-6-14(7-13)24-3)16-17(23)22-18(26-16)19-10-20-22/h4-7,10-12,15,23H,8-9H2,1-3H3
InChIKeyCHYVAKAFGGCNES-UHFFFAOYSA-N
XLogP2.70
TPSA72.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylmorpholin-4-yl)-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[(2,6-dimethylmorpholin-4-yl)-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 3651965) is 5-[(2,6-dimethylmorpholin-4-yl)-(3-methoxyphenyl)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-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[(2,6-dimethylmorpholin-4-yl)-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is COc1cccc(C(c2sc3ncnn3c2O)N2CC(C)OC(C)C2)c1.
What is the InChIKey of 5-[(2,6-dimethylmorpholin-4-yl)-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is CHYVAKAFGGCNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-11-8-21(9-12(2)25-11)15(13-5-4-6-14(7-13)24-3)16-17(23)22-18(26-16)19-10-20-22/h4-7,10-12,15,23H,8-9H2,1-3H3.
What are the key properties of 5-[(2,6-dimethylmorpholin-4-yl)-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(2,6-dimethylmorpholin-4-yl)-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 374.47 g/mol, XLogP of 2.70, 4 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)-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 3651965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).