tert-butyl (2S,5R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylmorpholine-4-carboxylate

C17H28N2O3S — CID 177329281

IUPACtert-butyl (2S,5R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylmorpholine-4-carboxylate
SMILESC[C@@H]1CO[C@H](c2nc(C(C)(C)C)cs2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O3S/c1-11-9-21-12(8-19(11)15(20)22-17(5,6)7)14-18-13(10-23-14)16(2,3)4/h10-12H,8-9H2,1-7H3/t11-,12+/m1/s1
InChIKeyXIRODXPXEZJZBG-NEPJUHHUSA-N
MW340.49 g/mol
LogP4.14
Rot. Bonds1

About tert-butyl (2S,5R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylmorpholine-4-carboxylate

tert-butyl (2S,5R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylmorpholine-4-carboxylate (PubChem CID 177329281) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is tert-butyl (2S,5R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,5R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylmorpholine-4-carboxylate
PubChem CID177329281
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Nametert-butyl (2S,5R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylmorpholine-4-carboxylate
SMILESC[C@@H]1CO[C@H](c2nc(C(C)(C)C)cs2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O3S/c1-11-9-21-12(8-19(11)15(20)22-17(5,6)7)14-18-13(10-23-14)16(2,3)4/h10-12H,8-9H2,1-7H3/t11-,12+/m1/s1
InChIKeyXIRODXPXEZJZBG-NEPJUHHUSA-N
XLogP4.14
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,5R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S,5R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylmorpholine-4-carboxylate (CID 177329281) is tert-butyl (2S,5R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S,5R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S,5R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylmorpholine-4-carboxylate is C[C@@H]1CO[C@H](c2nc(C(C)(C)C)cs2)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,5R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylmorpholine-4-carboxylate?
The InChIKey is XIRODXPXEZJZBG-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-11-9-21-12(8-19(11)15(20)22-17(5,6)7)14-18-13(10-23-14)16(2,3)4/h10-12H,8-9H2,1-7H3/t11-,12+/m1/s1.
What are the key properties of tert-butyl (2S,5R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylmorpholine-4-carboxylate?
tert-butyl (2S,5R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylmorpholine-4-carboxylate has a molecular weight of 340.49 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,5R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylmorpholine-4-carboxylate is sourced from PubChem (CID 177329281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).