2-(1,3-benzothiazol-2-yl)-5-(2,3,4,4,5,6-hexamethyl-1-pyridinyl)phenol

C24H26N2OS — CID 140728505

IUPAC2-(1,3-benzothiazol-2-yl)-5-(2,3,4,4,5,6-hexamethyl-1-pyridinyl)phenol
SMILESCC1=C(C)C(C)(C)C(C)=C(C)N1c1ccc(-c2nc3ccccc3s2)c(O)c1
InChIInChI=1S/C24H26N2OS/c1-14-16(3)26(17(4)15(2)24(14,5)6)18-11-12-19(21(27)13-18)23-25-20-9-7-8-10-22(20)28-23/h7-13,27H,1-6H3
InChIKeyOTHUZSQOGAHXFY-UHFFFAOYSA-N
MW390.55 g/mol
LogP7.10
Rot. Bonds2

About 2-(1,3-benzothiazol-2-yl)-5-(2,3,4,4,5,6-hexamethyl-1-pyridinyl)phenol

2-(1,3-benzothiazol-2-yl)-5-(2,3,4,4,5,6-hexamethyl-1-pyridinyl)phenol (PubChem CID 140728505) has the molecular formula C24H26N2OS and a molecular weight of 390.55 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-5-(2,3,4,4,5,6-hexamethyl-1-pyridinyl)phenol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-5-(2,3,4,4,5,6-hexamethyl-1-pyridinyl)phenol
PubChem CID140728505
Molecular FormulaC24H26N2OS
Molecular Weight390.55 g/mol
Exact Mass390.18
IUPAC Name2-(1,3-benzothiazol-2-yl)-5-(2,3,4,4,5,6-hexamethyl-1-pyridinyl)phenol
SMILESCC1=C(C)C(C)(C)C(C)=C(C)N1c1ccc(-c2nc3ccccc3s2)c(O)c1
InChIInChI=1S/C24H26N2OS/c1-14-16(3)26(17(4)15(2)24(14,5)6)18-11-12-19(21(27)13-18)23-25-20-9-7-8-10-22(20)28-23/h7-13,27H,1-6H3
InChIKeyOTHUZSQOGAHXFY-UHFFFAOYSA-N
XLogP7.10
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.55
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-5-(2,3,4,4,5,6-hexamethyl-1-pyridinyl)phenol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-5-(2,3,4,4,5,6-hexamethyl-1-pyridinyl)phenol (CID 140728505) is 2-(1,3-benzothiazol-2-yl)-5-(2,3,4,4,5,6-hexamethyl-1-pyridinyl)phenol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-5-(2,3,4,4,5,6-hexamethyl-1-pyridinyl)phenol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-5-(2,3,4,4,5,6-hexamethyl-1-pyridinyl)phenol is CC1=C(C)C(C)(C)C(C)=C(C)N1c1ccc(-c2nc3ccccc3s2)c(O)c1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-5-(2,3,4,4,5,6-hexamethyl-1-pyridinyl)phenol?
The InChIKey is OTHUZSQOGAHXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2OS/c1-14-16(3)26(17(4)15(2)24(14,5)6)18-11-12-19(21(27)13-18)23-25-20-9-7-8-10-22(20)28-23/h7-13,27H,1-6H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-5-(2,3,4,4,5,6-hexamethyl-1-pyridinyl)phenol?
2-(1,3-benzothiazol-2-yl)-5-(2,3,4,4,5,6-hexamethyl-1-pyridinyl)phenol has a molecular weight of 390.55 g/mol, XLogP of 7.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-5-(2,3,4,4,5,6-hexamethyl-1-pyridinyl)phenol is sourced from PubChem (CID 140728505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).