tert-butyl N-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethyl]carbamate

C24H33F2N3O6S — CID 154612199

IUPACtert-butyl N-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F
InChIInChI=1S/C24H33F2N3O6S/c1-24(2,3)35-23(30)27-6-9-31-12-13-33-14-15-34-21-17(4-5-18(25)20(21)26)19-16-36-22(28-19)29-7-10-32-11-8-29/h4-5,16H,6-15H2,1-3H3,(H,27,30)
InChIKeyXDWIDXTVKMKMBD-UHFFFAOYSA-N
MW529.61 g/mol
LogP3.86
Rot. Bonds12

About tert-butyl N-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethyl]carbamate

tert-butyl N-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 154612199) has the molecular formula C24H33F2N3O6S and a molecular weight of 529.61 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID154612199
Molecular FormulaC24H33F2N3O6S
Molecular Weight529.61 g/mol
Exact Mass529.21
IUPAC Nametert-butyl N-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F
InChIInChI=1S/C24H33F2N3O6S/c1-24(2,3)35-23(30)27-6-9-31-12-13-33-14-15-34-21-17(4-5-18(25)20(21)26)19-16-36-22(28-19)29-7-10-32-11-8-29/h4-5,16H,6-15H2,1-3H3,(H,27,30)
InChIKeyXDWIDXTVKMKMBD-UHFFFAOYSA-N
XLogP3.86
TPSA91.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.61
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethyl]carbamate (CID 154612199) is tert-butyl N-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCOc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F.
What is the InChIKey of tert-butyl N-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is XDWIDXTVKMKMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2N3O6S/c1-24(2,3)35-23(30)27-6-9-31-12-13-33-14-15-34-21-17(4-5-18(25)20(21)26)19-16-36-22(28-19)29-7-10-32-11-8-29/h4-5,16H,6-15H2,1-3H3,(H,27,30).
What are the key properties of tert-butyl N-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 529.61 g/mol, XLogP of 3.86, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 154612199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).