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

C26H37F2N3O7S — CID 154612147

IUPACtert-butyl N-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCOc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F
InChIInChI=1S/C26H37F2N3O7S/c1-26(2,3)38-25(32)29-6-9-33-12-13-35-14-15-36-16-17-37-23-19(4-5-20(27)22(23)28)21-18-39-24(30-21)31-7-10-34-11-8-31/h4-5,18H,6-17H2,1-3H3,(H,29,32)
InChIKeyWJFXZCOKPLSOCR-UHFFFAOYSA-N
MW573.66 g/mol
LogP3.88
Rot. Bonds15

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

tert-butyl N-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 154612147) has the molecular formula C26H37F2N3O7S and a molecular weight of 573.66 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID154612147
Molecular FormulaC26H37F2N3O7S
Molecular Weight573.66 g/mol
Exact Mass573.23
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCCOc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F
InChIInChI=1S/C26H37F2N3O7S/c1-26(2,3)38-25(32)29-6-9-33-12-13-35-14-15-36-16-17-37-23-19(4-5-20(27)22(23)28)21-18-39-24(30-21)31-7-10-34-11-8-31/h4-5,18H,6-17H2,1-3H3,(H,29,32)
InChIKeyWJFXZCOKPLSOCR-UHFFFAOYSA-N
XLogP3.88
TPSA100.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.66
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 154612147) is tert-butyl N-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCOCCOc1c(-c2csc(N3CCOCC3)n2)ccc(F)c1F.
What is the InChIKey of tert-butyl N-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is WJFXZCOKPLSOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37F2N3O7S/c1-26(2,3)38-25(32)29-6-9-33-12-13-35-14-15-36-16-17-37-23-19(4-5-20(27)22(23)28)21-18-39-24(30-21)31-7-10-34-11-8-31/h4-5,18H,6-17H2,1-3H3,(H,29,32).
What are the key properties of tert-butyl N-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 573.66 g/mol, XLogP of 3.88, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 154612147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).