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

C18H21FN4O2S — CID 3236594

IUPAC5-[(2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3cccc(F)c3)N3CC(C)OC(C)C3)c(O)n2n1
InChIInChI=1S/C18H21FN4O2S/c1-10-8-22(9-11(2)25-10)15(13-5-4-6-14(19)7-13)16-17(24)23-18(26-16)20-12(3)21-23/h4-7,10-11,15,24H,8-9H2,1-3H3
InChIKeyIEVXCZBUXQZCHV-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.14
Rot. Bonds3

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

5-[(2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 3236594) has the molecular formula C18H21FN4O2S and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-[(2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)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-fluorophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID3236594
Molecular FormulaC18H21FN4O2S
Molecular Weight376.46 g/mol
Exact Mass376.14
IUPAC Name5-[(2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3cccc(F)c3)N3CC(C)OC(C)C3)c(O)n2n1
InChIInChI=1S/C18H21FN4O2S/c1-10-8-22(9-11(2)25-10)15(13-5-4-6-14(19)7-13)16-17(24)23-18(26-16)20-12(3)21-23/h4-7,10-11,15,24H,8-9H2,1-3H3
InChIKeyIEVXCZBUXQZCHV-UHFFFAOYSA-N
XLogP3.14
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)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-fluorophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 3236594) is 5-[(2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)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-fluorophenyl)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-fluorophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1nc2sc(C(c3cccc(F)c3)N3CC(C)OC(C)C3)c(O)n2n1.
What is the InChIKey of 5-[(2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is IEVXCZBUXQZCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2S/c1-10-8-22(9-11(2)25-10)15(13-5-4-6-14(19)7-13)16-17(24)23-18(26-16)20-12(3)21-23/h4-7,10-11,15,24H,8-9H2,1-3H3.
What are the key properties of 5-[(2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 376.46 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylmorpholin-4-yl)-(3-fluorophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 3236594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).