7-(2,1-benzothiazol-3-yloxy)naphthalen-2-ol

C17H11NO2S — CID 66353421

IUPAC7-(2,1-benzothiazol-3-yloxy)naphthalen-2-ol
SMILESOc1ccc2ccc(Oc3snc4ccccc34)cc2c1
InChIInChI=1S/C17H11NO2S/c19-13-7-5-11-6-8-14(10-12(11)9-13)20-17-15-3-1-2-4-16(15)18-21-17/h1-10,19H
InChIKeySABDWCOOUZKGAW-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.95
Rot. Bonds2

About 7-(2,1-benzothiazol-3-yloxy)naphthalen-2-ol

7-(2,1-benzothiazol-3-yloxy)naphthalen-2-ol (PubChem CID 66353421) has the molecular formula C17H11NO2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 7-(2,1-benzothiazol-3-yloxy)naphthalen-2-ol.

Molecular Properties

Compound Name7-(2,1-benzothiazol-3-yloxy)naphthalen-2-ol
PubChem CID66353421
Molecular FormulaC17H11NO2S
Molecular Weight293.35 g/mol
Exact Mass293.05
IUPAC Name7-(2,1-benzothiazol-3-yloxy)naphthalen-2-ol
SMILESOc1ccc2ccc(Oc3snc4ccccc34)cc2c1
InChIInChI=1S/C17H11NO2S/c19-13-7-5-11-6-8-14(10-12(11)9-13)20-17-15-3-1-2-4-16(15)18-21-17/h1-10,19H
InChIKeySABDWCOOUZKGAW-UHFFFAOYSA-N
XLogP4.95
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,1-benzothiazol-3-yloxy)naphthalen-2-ol?
The IUPAC name of 7-(2,1-benzothiazol-3-yloxy)naphthalen-2-ol (CID 66353421) is 7-(2,1-benzothiazol-3-yloxy)naphthalen-2-ol.
What is the SMILES notation for 7-(2,1-benzothiazol-3-yloxy)naphthalen-2-ol?
The canonical SMILES for 7-(2,1-benzothiazol-3-yloxy)naphthalen-2-ol is Oc1ccc2ccc(Oc3snc4ccccc34)cc2c1.
What is the InChIKey of 7-(2,1-benzothiazol-3-yloxy)naphthalen-2-ol?
The InChIKey is SABDWCOOUZKGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2S/c19-13-7-5-11-6-8-14(10-12(11)9-13)20-17-15-3-1-2-4-16(15)18-21-17/h1-10,19H.
What are the key properties of 7-(2,1-benzothiazol-3-yloxy)naphthalen-2-ol?
7-(2,1-benzothiazol-3-yloxy)naphthalen-2-ol has a molecular weight of 293.35 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,1-benzothiazol-3-yloxy)naphthalen-2-ol is sourced from PubChem (CID 66353421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).