benzo[e][1,3]benzothiazol-5-ol

C11H7NOS — CID 57422148

IUPACbenzo[e][1,3]benzothiazol-5-ol
SMILESOc1cc2scnc2c2ccccc12
InChIInChI=1S/C11H7NOS/c13-9-5-10-11(12-6-14-10)8-4-2-1-3-7(8)9/h1-6,13H
InChIKeyPXYZPXCXVPXKAJ-UHFFFAOYSA-N
MW201.25 g/mol
LogP3.16
Rot. Bonds

About benzo[e][1,3]benzothiazol-5-ol

benzo[e][1,3]benzothiazol-5-ol (PubChem CID 57422148) has the molecular formula C11H7NOS and a molecular weight of 201.25 g/mol. Its IUPAC name is benzo[e][1,3]benzothiazol-5-ol.

Molecular Properties

Compound Namebenzo[e][1,3]benzothiazol-5-ol
PubChem CID57422148
Molecular FormulaC11H7NOS
Molecular Weight201.25 g/mol
Exact Mass201.02
IUPAC Namebenzo[e][1,3]benzothiazol-5-ol
SMILESOc1cc2scnc2c2ccccc12
InChIInChI=1S/C11H7NOS/c13-9-5-10-11(12-6-14-10)8-4-2-1-3-7(8)9/h1-6,13H
InChIKeyPXYZPXCXVPXKAJ-UHFFFAOYSA-N
XLogP3.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1,3-benzothiazole-6-carboxylic acid
CID 84665931
[1,3]benzothiazolo[4,5-h]quinoline
CID 69275376
1,3-benzothiazol-4-ylmethanol
CID 84652179
[1]benzofuro[2,3-e][1,3]benzothiazole
CID 45077473
8-tert-butyl-6-methyl-[1,3]thiazolo[4,5-f]quinolin-6-ium
CID 59072235
6-hydroxybenzo[f]quinoxaline-2,3-dicarbonitrile
CID 137082941
1,3-benzothiazol-5-ol
CID 3596506
2-(2-methylpropyl)benzo[e]benzotriazol-5-ol
CID 145163399
2-methylpropane;naphthalene-1,4-diol
CID 144756444
octakis(1,3-benzothiazole);sulfane
CID 173324926
1,3-benzothiazole;trihydrochloride
CID 162189976
azane;1,3-benzothiazole
CID 68815700

Frequently Asked Questions

What is the IUPAC name of benzo[e][1,3]benzothiazol-5-ol?
The IUPAC name of benzo[e][1,3]benzothiazol-5-ol (CID 57422148) is benzo[e][1,3]benzothiazol-5-ol.
What is the SMILES notation for benzo[e][1,3]benzothiazol-5-ol?
The canonical SMILES for benzo[e][1,3]benzothiazol-5-ol is Oc1cc2scnc2c2ccccc12.
What is the InChIKey of benzo[e][1,3]benzothiazol-5-ol?
The InChIKey is PXYZPXCXVPXKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NOS/c13-9-5-10-11(12-6-14-10)8-4-2-1-3-7(8)9/h1-6,13H.
What are the key properties of benzo[e][1,3]benzothiazol-5-ol?
benzo[e][1,3]benzothiazol-5-ol has a molecular weight of 201.25 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[e][1,3]benzothiazol-5-ol is sourced from PubChem (CID 57422148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).