tert-butyl (2R)-2-[3-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]morpholine-4-carboxylate

C21H23N3O4S — CID 171653443

IUPACtert-butyl (2R)-2-[3-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@H](c2cccc(Oc3nc4ncccc4s3)c2)C1
InChIInChI=1S/C21H23N3O4S/c1-21(2,3)28-20(25)24-10-11-26-16(13-24)14-6-4-7-15(12-14)27-19-23-18-17(29-19)8-5-9-22-18/h4-9,12,16H,10-11,13H2,1-3H3/t16-/m0/s1
InChIKeyRIOPGLYHUSQNOX-INIZCTEOSA-N
MW413.50 g/mol
LogP4.79
Rot. Bonds3

About tert-butyl (2R)-2-[3-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]morpholine-4-carboxylate

tert-butyl (2R)-2-[3-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]morpholine-4-carboxylate (PubChem CID 171653443) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is tert-butyl (2R)-2-[3-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[3-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]morpholine-4-carboxylate
PubChem CID171653443
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Nametert-butyl (2R)-2-[3-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@H](c2cccc(Oc3nc4ncccc4s3)c2)C1
InChIInChI=1S/C21H23N3O4S/c1-21(2,3)28-20(25)24-10-11-26-16(13-24)14-6-4-7-15(12-14)27-19-23-18-17(29-19)8-5-9-22-18/h4-9,12,16H,10-11,13H2,1-3H3/t16-/m0/s1
InChIKeyRIOPGLYHUSQNOX-INIZCTEOSA-N
XLogP4.79
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl (2R)-2-[3-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]morpholine-4-carboxylate with MolForge

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Related Compounds

tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
CID 16737894
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
tert-butyl (2R)-2-(4-deuterio-2-pyridinyl)morpholine-4-carboxylate
CID 176629684
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
tert-butyl 2-(1-methylpyrrolo[3,2-b]pyridin-2-yl)morpholine-4-carboxylate
CID 152901440
tert-butyl 8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 59577643
tert-butyl 2-(2-aminopyrimidin-4-yl)morpholine-4-carboxylate
CID 172992087
tert-butyl 2-(4-fluoro-3-hydroxyphenyl)morpholine-4-carboxylate
CID 171653389
tert-butyl (1S,4S)-5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 68770275
CID 162016125
CID 162016125
tert-butyl 2-(1-hydroxypyridin-1-ium-4-yl)morpholine-4-carboxylate
CID 176950779
tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate
CID 58097888

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[3-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[3-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]morpholine-4-carboxylate (CID 171653443) is tert-butyl (2R)-2-[3-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[3-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[3-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCO[C@H](c2cccc(Oc3nc4ncccc4s3)c2)C1.
What is the InChIKey of tert-butyl (2R)-2-[3-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]morpholine-4-carboxylate?
The InChIKey is RIOPGLYHUSQNOX-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-21(2,3)28-20(25)24-10-11-26-16(13-24)14-6-4-7-15(12-14)27-19-23-18-17(29-19)8-5-9-22-18/h4-9,12,16H,10-11,13H2,1-3H3/t16-/m0/s1.
What are the key properties of tert-butyl (2R)-2-[3-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]morpholine-4-carboxylate?
tert-butyl (2R)-2-[3-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]morpholine-4-carboxylate has a molecular weight of 413.50 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[3-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]morpholine-4-carboxylate is sourced from PubChem (CID 171653443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).