2-[6-(1-phenylethyl)-4-(3-pyridin-2-ylphenyl)-1,3-benzothiazol-2-yl]phenol

C32H24N2OS — CID 164743250

IUPAC2-[6-(1-phenylethyl)-4-(3-pyridin-2-ylphenyl)-1,3-benzothiazol-2-yl]phenol
SMILESCC(c1ccccc1)c1cc(-c2cccc(-c3ccccn3)c2)c2nc(-c3ccccc3O)sc2c1
InChIInChI=1S/C32H24N2OS/c1-21(22-10-3-2-4-11-22)25-19-27(23-12-9-13-24(18-23)28-15-7-8-17-33-28)31-30(20-25)36-32(34-31)26-14-5-6-16-29(26)35/h2-21,35H,1H3
InChIKeyPIDYYOCQZZESNF-UHFFFAOYSA-N
MW484.62 g/mol
LogP8.55
Rot. Bonds5

About 2-[6-(1-phenylethyl)-4-(3-pyridin-2-ylphenyl)-1,3-benzothiazol-2-yl]phenol

2-[6-(1-phenylethyl)-4-(3-pyridin-2-ylphenyl)-1,3-benzothiazol-2-yl]phenol (PubChem CID 164743250) has the molecular formula C32H24N2OS and a molecular weight of 484.62 g/mol. Its IUPAC name is 2-[6-(1-phenylethyl)-4-(3-pyridin-2-ylphenyl)-1,3-benzothiazol-2-yl]phenol.

Molecular Properties

Compound Name2-[6-(1-phenylethyl)-4-(3-pyridin-2-ylphenyl)-1,3-benzothiazol-2-yl]phenol
PubChem CID164743250
Molecular FormulaC32H24N2OS
Molecular Weight484.62 g/mol
Exact Mass484.16
IUPAC Name2-[6-(1-phenylethyl)-4-(3-pyridin-2-ylphenyl)-1,3-benzothiazol-2-yl]phenol
SMILESCC(c1ccccc1)c1cc(-c2cccc(-c3ccccn3)c2)c2nc(-c3ccccc3O)sc2c1
InChIInChI=1S/C32H24N2OS/c1-21(22-10-3-2-4-11-22)25-19-27(23-12-9-13-24(18-23)28-15-7-8-17-33-28)31-30(20-25)36-32(34-31)26-14-5-6-16-29(26)35/h2-21,35H,1H3
InChIKeyPIDYYOCQZZESNF-UHFFFAOYSA-N
XLogP8.55
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.62
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-phenyl-5-[4-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzothiazol-2-yl]phenol
CID 164743000
2-[4-[3-[5-(2-phenylpropan-2-yl)-2-pyridinyl]phenyl]-1,3-benzothiazol-2-yl]phenol
CID 164742445
3-(1-phenylethyl)-2-[4-(3-pyridin-2-ylphenyl)-1,3-benzoxazol-2-yl]phenol
CID 164743024
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol
CID 164743200
2-[6-[3-[4-(1-phenylethyl)-N-pyridin-2-ylanilino]phenyl]-2-pyridinyl]phenol
CID 164742080
2-[3-(3-propan-2-ylphenyl)phenyl]pyridine
CID 161030255
2-[4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3-benzothiazol-2-yl]phenol
CID 138712038
2-[6-(3-hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091036
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
4-tert-butyl-2-[6-tert-butyl-4-[3-(6-tert-butylquinolin-8-yl)-5-phenylphenyl]-1,3-benzothiazol-2-yl]phenol
CID 177110945
2-[1-methyl-4-(3-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 137305162

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-phenylethyl)-4-(3-pyridin-2-ylphenyl)-1,3-benzothiazol-2-yl]phenol?
The IUPAC name of 2-[6-(1-phenylethyl)-4-(3-pyridin-2-ylphenyl)-1,3-benzothiazol-2-yl]phenol (CID 164743250) is 2-[6-(1-phenylethyl)-4-(3-pyridin-2-ylphenyl)-1,3-benzothiazol-2-yl]phenol.
What is the SMILES notation for 2-[6-(1-phenylethyl)-4-(3-pyridin-2-ylphenyl)-1,3-benzothiazol-2-yl]phenol?
The canonical SMILES for 2-[6-(1-phenylethyl)-4-(3-pyridin-2-ylphenyl)-1,3-benzothiazol-2-yl]phenol is CC(c1ccccc1)c1cc(-c2cccc(-c3ccccn3)c2)c2nc(-c3ccccc3O)sc2c1.
What is the InChIKey of 2-[6-(1-phenylethyl)-4-(3-pyridin-2-ylphenyl)-1,3-benzothiazol-2-yl]phenol?
The InChIKey is PIDYYOCQZZESNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2OS/c1-21(22-10-3-2-4-11-22)25-19-27(23-12-9-13-24(18-23)28-15-7-8-17-33-28)31-30(20-25)36-32(34-31)26-14-5-6-16-29(26)35/h2-21,35H,1H3.
What are the key properties of 2-[6-(1-phenylethyl)-4-(3-pyridin-2-ylphenyl)-1,3-benzothiazol-2-yl]phenol?
2-[6-(1-phenylethyl)-4-(3-pyridin-2-ylphenyl)-1,3-benzothiazol-2-yl]phenol has a molecular weight of 484.62 g/mol, XLogP of 8.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-phenylethyl)-4-(3-pyridin-2-ylphenyl)-1,3-benzothiazol-2-yl]phenol is sourced from PubChem (CID 164743250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).