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

C23H34N2OS — CID 10215951

IUPAC2,6-ditert-butyl-4-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]phenol
SMILESCN1CCCCC1c1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs1
InChIInChI=1S/C23H34N2OS/c1-22(2,3)16-12-15(13-17(20(16)26)23(4,5)6)18-14-27-21(24-18)19-10-8-9-11-25(19)7/h12-14,19,26H,8-11H2,1-7H3
InChIKeyOUDOMKKBGGRBLB-UHFFFAOYSA-N
MW386.61 g/mol
LogP6.27
Rot. Bonds2

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

2,6-ditert-butyl-4-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]phenol (PubChem CID 10215951) has the molecular formula C23H34N2OS and a molecular weight of 386.61 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]phenol
PubChem CID10215951
Molecular FormulaC23H34N2OS
Molecular Weight386.61 g/mol
Exact Mass386.24
IUPAC Name2,6-ditert-butyl-4-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]phenol
SMILESCN1CCCCC1c1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs1
InChIInChI=1S/C23H34N2OS/c1-22(2,3)16-12-15(13-17(20(16)26)23(4,5)6)18-14-27-21(24-18)19-10-8-9-11-25(19)7/h12-14,19,26H,8-11H2,1-7H3
InChIKeyOUDOMKKBGGRBLB-UHFFFAOYSA-N
XLogP6.27
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.61
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]phenol (CID 10215951) is 2,6-ditert-butyl-4-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]phenol is CN1CCCCC1c1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs1.
What is the InChIKey of 2,6-ditert-butyl-4-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]phenol?
The InChIKey is OUDOMKKBGGRBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2OS/c1-22(2,3)16-12-15(13-17(20(16)26)23(4,5)6)18-14-27-21(24-18)19-10-8-9-11-25(19)7/h12-14,19,26H,8-11H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]phenol?
2,6-ditert-butyl-4-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]phenol has a molecular weight of 386.61 g/mol, XLogP of 6.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 10215951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).