1,3-benzothiazol-5-ol

C7H5NOS — CID 3596506

IUPAC1,3-benzothiazol-5-ol
SMILESOc1ccc2scnc2c1
InChIInChI=1S/C7H5NOS/c9-5-1-2-7-6(3-5)8-4-10-7/h1-4,9H
InChIKeyBREUOIWLJRZAFF-UHFFFAOYSA-N
MW151.19 g/mol
LogP2.00
Rot. Bonds

About 1,3-benzothiazol-5-ol

1,3-benzothiazol-5-ol (PubChem CID 3596506) has the molecular formula C7H5NOS and a molecular weight of 151.19 g/mol. Its IUPAC name is 1,3-benzothiazol-5-ol.

Molecular Properties

Compound Name1,3-benzothiazol-5-ol
PubChem CID3596506
Molecular FormulaC7H5NOS
Molecular Weight151.19 g/mol
Exact Mass151.01
IUPAC Name1,3-benzothiazol-5-ol
SMILESOc1ccc2scnc2c1
InChIInChI=1S/C7H5NOS/c9-5-1-2-7-6(3-5)8-4-10-7/h1-4,9H
InChIKeyBREUOIWLJRZAFF-UHFFFAOYSA-N
XLogP2.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-5-ol?
The IUPAC name of 1,3-benzothiazol-5-ol (CID 3596506) is 1,3-benzothiazol-5-ol.
What is the SMILES notation for 1,3-benzothiazol-5-ol?
The canonical SMILES for 1,3-benzothiazol-5-ol is Oc1ccc2scnc2c1.
What is the InChIKey of 1,3-benzothiazol-5-ol?
The InChIKey is BREUOIWLJRZAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NOS/c9-5-1-2-7-6(3-5)8-4-10-7/h1-4,9H.
What are the key properties of 1,3-benzothiazol-5-ol?
1,3-benzothiazol-5-ol has a molecular weight of 151.19 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-5-ol is sourced from PubChem (CID 3596506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).