2,6-ditert-butyl-4-[2-(4-morpholin-4-yloxan-4-yl)-1,3-thiazol-4-yl]phenol

C26H38N2O3S — CID 25221007

IUPAC2,6-ditert-butyl-4-[2-(4-morpholin-4-yloxan-4-yl)-1,3-thiazol-4-yl]phenol
SMILESCC(C)(C)c1cc(-c2csc(C3(N4CCOCC4)CCOCC3)n2)cc(C(C)(C)C)c1O
InChIInChI=1S/C26H38N2O3S/c1-24(2,3)19-15-18(16-20(22(19)29)25(4,5)6)21-17-32-23(27-21)26(7-11-30-12-8-26)28-9-13-31-14-10-28/h15-17,29H,7-14H2,1-6H3
InChIKeyZIDOOIFRIVVMGK-UHFFFAOYSA-N
MW458.67 g/mol
LogP5.45
Rot. Bonds3

About 2,6-ditert-butyl-4-[2-(4-morpholin-4-yloxan-4-yl)-1,3-thiazol-4-yl]phenol

2,6-ditert-butyl-4-[2-(4-morpholin-4-yloxan-4-yl)-1,3-thiazol-4-yl]phenol (PubChem CID 25221007) has the molecular formula C26H38N2O3S and a molecular weight of 458.67 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[2-(4-morpholin-4-yloxan-4-yl)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[2-(4-morpholin-4-yloxan-4-yl)-1,3-thiazol-4-yl]phenol
PubChem CID25221007
Molecular FormulaC26H38N2O3S
Molecular Weight458.67 g/mol
Exact Mass458.26
IUPAC Name2,6-ditert-butyl-4-[2-(4-morpholin-4-yloxan-4-yl)-1,3-thiazol-4-yl]phenol
SMILESCC(C)(C)c1cc(-c2csc(C3(N4CCOCC4)CCOCC3)n2)cc(C(C)(C)C)c1O
InChIInChI=1S/C26H38N2O3S/c1-24(2,3)19-15-18(16-20(22(19)29)25(4,5)6)21-17-32-23(27-21)26(7-11-30-12-8-26)28-9-13-31-14-10-28/h15-17,29H,7-14H2,1-6H3
InChIKeyZIDOOIFRIVVMGK-UHFFFAOYSA-N
XLogP5.45
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.67
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[2-(4-morpholin-4-yloxan-4-yl)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[2-(4-morpholin-4-yloxan-4-yl)-1,3-thiazol-4-yl]phenol (CID 25221007) is 2,6-ditert-butyl-4-[2-(4-morpholin-4-yloxan-4-yl)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[2-(4-morpholin-4-yloxan-4-yl)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[2-(4-morpholin-4-yloxan-4-yl)-1,3-thiazol-4-yl]phenol is CC(C)(C)c1cc(-c2csc(C3(N4CCOCC4)CCOCC3)n2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[2-(4-morpholin-4-yloxan-4-yl)-1,3-thiazol-4-yl]phenol?
The InChIKey is ZIDOOIFRIVVMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O3S/c1-24(2,3)19-15-18(16-20(22(19)29)25(4,5)6)21-17-32-23(27-21)26(7-11-30-12-8-26)28-9-13-31-14-10-28/h15-17,29H,7-14H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-[2-(4-morpholin-4-yloxan-4-yl)-1,3-thiazol-4-yl]phenol?
2,6-ditert-butyl-4-[2-(4-morpholin-4-yloxan-4-yl)-1,3-thiazol-4-yl]phenol has a molecular weight of 458.67 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[2-(4-morpholin-4-yloxan-4-yl)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 25221007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).