2-(3-hydroxyphenyl)-1,3-benzothiazol-6-ol

C13H9NO2S — CID 10466948

IUPAC2-(3-hydroxyphenyl)-1,3-benzothiazol-6-ol
SMILESOc1cccc(-c2nc3ccc(O)cc3s2)c1
InChIInChI=1S/C13H9NO2S/c15-9-3-1-2-8(6-9)13-14-11-5-4-10(16)7-12(11)17-13/h1-7,15-16H
InChIKeyZZSNWDPLAJTAIP-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.37
Rot. Bonds1

About 2-(3-hydroxyphenyl)-1,3-benzothiazol-6-ol

2-(3-hydroxyphenyl)-1,3-benzothiazol-6-ol (PubChem CID 10466948) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1,3-benzothiazol-6-ol
PubChem CID10466948
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name2-(3-hydroxyphenyl)-1,3-benzothiazol-6-ol
SMILESOc1cccc(-c2nc3ccc(O)cc3s2)c1
InChIInChI=1S/C13H9NO2S/c15-9-3-1-2-8(6-9)13-14-11-5-4-10(16)7-12(11)17-13/h1-7,15-16H
InChIKeyZZSNWDPLAJTAIP-UHFFFAOYSA-N
XLogP3.37
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1,3-benzothiazol-6-ol?
The IUPAC name of 2-(3-hydroxyphenyl)-1,3-benzothiazol-6-ol (CID 10466948) is 2-(3-hydroxyphenyl)-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-(3-hydroxyphenyl)-1,3-benzothiazol-6-ol is Oc1cccc(-c2nc3ccc(O)cc3s2)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1,3-benzothiazol-6-ol?
The InChIKey is ZZSNWDPLAJTAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c15-9-3-1-2-8(6-9)13-14-11-5-4-10(16)7-12(11)17-13/h1-7,15-16H.
What are the key properties of 2-(3-hydroxyphenyl)-1,3-benzothiazol-6-ol?
2-(3-hydroxyphenyl)-1,3-benzothiazol-6-ol has a molecular weight of 243.29 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1,3-benzothiazol-6-ol is sourced from PubChem (CID 10466948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).