2-[2-(2-hydroxyphenyl)-1,3-benzothiazol-4-yl]phenol

C19H13NO2S — CID 141238359

IUPAC2-[2-(2-hydroxyphenyl)-1,3-benzothiazol-4-yl]phenol
SMILESOc1ccccc1-c1nc2c(-c3ccccc3O)cccc2s1
InChIInChI=1S/C19H13NO2S/c21-15-9-3-1-6-12(15)13-8-5-11-17-18(13)20-19(23-17)14-7-2-4-10-16(14)22/h1-11,21-22H
InChIKeyYRUCZLYRXWGEHT-UHFFFAOYSA-N
MW319.39 g/mol
LogP5.04
Rot. Bonds2

About 2-[2-(2-hydroxyphenyl)-1,3-benzothiazol-4-yl]phenol

2-[2-(2-hydroxyphenyl)-1,3-benzothiazol-4-yl]phenol (PubChem CID 141238359) has the molecular formula C19H13NO2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[2-(2-hydroxyphenyl)-1,3-benzothiazol-4-yl]phenol.

Molecular Properties

Compound Name2-[2-(2-hydroxyphenyl)-1,3-benzothiazol-4-yl]phenol
PubChem CID141238359
Molecular FormulaC19H13NO2S
Molecular Weight319.39 g/mol
Exact Mass319.07
IUPAC Name2-[2-(2-hydroxyphenyl)-1,3-benzothiazol-4-yl]phenol
SMILESOc1ccccc1-c1nc2c(-c3ccccc3O)cccc2s1
InChIInChI=1S/C19H13NO2S/c21-15-9-3-1-6-12(15)13-8-5-11-17-18(13)20-19(23-17)14-7-2-4-10-16(14)22/h1-11,21-22H
InChIKeyYRUCZLYRXWGEHT-UHFFFAOYSA-N
XLogP5.04
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.39
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyphenyl)-1,3-benzothiazol-4-yl]phenol?
The IUPAC name of 2-[2-(2-hydroxyphenyl)-1,3-benzothiazol-4-yl]phenol (CID 141238359) is 2-[2-(2-hydroxyphenyl)-1,3-benzothiazol-4-yl]phenol.
What is the SMILES notation for 2-[2-(2-hydroxyphenyl)-1,3-benzothiazol-4-yl]phenol?
The canonical SMILES for 2-[2-(2-hydroxyphenyl)-1,3-benzothiazol-4-yl]phenol is Oc1ccccc1-c1nc2c(-c3ccccc3O)cccc2s1.
What is the InChIKey of 2-[2-(2-hydroxyphenyl)-1,3-benzothiazol-4-yl]phenol?
The InChIKey is YRUCZLYRXWGEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2S/c21-15-9-3-1-6-12(15)13-8-5-11-17-18(13)20-19(23-17)14-7-2-4-10-16(14)22/h1-11,21-22H.
What are the key properties of 2-[2-(2-hydroxyphenyl)-1,3-benzothiazol-4-yl]phenol?
2-[2-(2-hydroxyphenyl)-1,3-benzothiazol-4-yl]phenol has a molecular weight of 319.39 g/mol, XLogP of 5.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyphenyl)-1,3-benzothiazol-4-yl]phenol is sourced from PubChem (CID 141238359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).