2-(2-phenylquinolin-8-yl)-1,3-benzothiazole

C22H14N2S — CID 174612697

IUPAC2-(2-phenylquinolin-8-yl)-1,3-benzothiazole
SMILESc1ccc(-c2ccc3cccc(-c4nc5ccccc5s4)c3n2)cc1
InChIInChI=1S/C22H14N2S/c1-2-7-15(8-3-1)18-14-13-16-9-6-10-17(21(16)23-18)22-24-19-11-4-5-12-20(19)25-22/h1-14H
InChIKeyZSWUZEYCABAJHI-UHFFFAOYSA-N
MW338.44 g/mol
LogP6.18
Rot. Bonds2

About 2-(2-phenylquinolin-8-yl)-1,3-benzothiazole

2-(2-phenylquinolin-8-yl)-1,3-benzothiazole (PubChem CID 174612697) has the molecular formula C22H14N2S and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-(2-phenylquinolin-8-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-phenylquinolin-8-yl)-1,3-benzothiazole
PubChem CID174612697
Molecular FormulaC22H14N2S
Molecular Weight338.44 g/mol
Exact Mass338.09
IUPAC Name2-(2-phenylquinolin-8-yl)-1,3-benzothiazole
SMILESc1ccc(-c2ccc3cccc(-c4nc5ccccc5s4)c3n2)cc1
InChIInChI=1S/C22H14N2S/c1-2-7-15(8-3-1)18-14-13-16-9-6-10-17(21(16)23-18)22-24-19-11-4-5-12-20(19)25-22/h1-14H
InChIKeyZSWUZEYCABAJHI-UHFFFAOYSA-N
XLogP6.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.44
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 135218835
2-[4-(3-phenylphenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056561
2-phenylquinolin-8-amine
CID 19955861
2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3-benzothiazole
CID 148624256
2-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]phenyl]-1,3-benzothiazole
CID 168797185
dizinc;tetrakis(2-(1,3-benzothiazol-2-yl)phenolate)
CID 139119825
2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline
CID 176785134
2-phenylquinolin-8-olate
CID 22660489
2-phenyl-9-[4-[2-[2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010512
2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline
CID 129265651
2-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole
CID 146513241

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylquinolin-8-yl)-1,3-benzothiazole?
The IUPAC name of 2-(2-phenylquinolin-8-yl)-1,3-benzothiazole (CID 174612697) is 2-(2-phenylquinolin-8-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-phenylquinolin-8-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-phenylquinolin-8-yl)-1,3-benzothiazole is c1ccc(-c2ccc3cccc(-c4nc5ccccc5s4)c3n2)cc1.
What is the InChIKey of 2-(2-phenylquinolin-8-yl)-1,3-benzothiazole?
The InChIKey is ZSWUZEYCABAJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2S/c1-2-7-15(8-3-1)18-14-13-16-9-6-10-17(21(16)23-18)22-24-19-11-4-5-12-20(19)25-22/h1-14H.
What are the key properties of 2-(2-phenylquinolin-8-yl)-1,3-benzothiazole?
2-(2-phenylquinolin-8-yl)-1,3-benzothiazole has a molecular weight of 338.44 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylquinolin-8-yl)-1,3-benzothiazole is sourced from PubChem (CID 174612697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).