3-(1,3-benzothiazol-2-yl)naphthalen-2-ol

C17H11NOS — CID 135590436

IUPAC3-(1,3-benzothiazol-2-yl)naphthalen-2-ol
SMILESOc1cc2ccccc2cc1-c1nc2ccccc2s1
InChIInChI=1S/C17H11NOS/c19-15-10-12-6-2-1-5-11(12)9-13(15)17-18-14-7-3-4-8-16(14)20-17/h1-10,19H
InChIKeyAXQGQDRAEYMDQB-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.82
Rot. Bonds1

About 3-(1,3-benzothiazol-2-yl)naphthalen-2-ol

3-(1,3-benzothiazol-2-yl)naphthalen-2-ol (PubChem CID 135590436) has the molecular formula C17H11NOS and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)naphthalen-2-ol
PubChem CID135590436
Molecular FormulaC17H11NOS
Molecular Weight277.35 g/mol
Exact Mass277.06
IUPAC Name3-(1,3-benzothiazol-2-yl)naphthalen-2-ol
SMILESOc1cc2ccccc2cc1-c1nc2ccccc2s1
InChIInChI=1S/C17H11NOS/c19-15-10-12-6-2-1-5-11(12)9-13(15)17-18-14-7-3-4-8-16(14)20-17/h1-10,19H
InChIKeyAXQGQDRAEYMDQB-UHFFFAOYSA-N
XLogP4.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)naphthalen-2-ol?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)naphthalen-2-ol (CID 135590436) is 3-(1,3-benzothiazol-2-yl)naphthalen-2-ol.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)naphthalen-2-ol?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)naphthalen-2-ol is Oc1cc2ccccc2cc1-c1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)naphthalen-2-ol?
The InChIKey is AXQGQDRAEYMDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NOS/c19-15-10-12-6-2-1-5-11(12)9-13(15)17-18-14-7-3-4-8-16(14)20-17/h1-10,19H.
What are the key properties of 3-(1,3-benzothiazol-2-yl)naphthalen-2-ol?
3-(1,3-benzothiazol-2-yl)naphthalen-2-ol has a molecular weight of 277.35 g/mol, XLogP of 4.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)naphthalen-2-ol is sourced from PubChem (CID 135590436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).