2-naphthalen-2-yl-1,2-benzothiazol-3-one

C17H11NOS — CID 25181215

IUPAC2-naphthalen-2-yl-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1-c1ccc2ccccc2c1
InChIInChI=1S/C17H11NOS/c19-17-15-7-3-4-8-16(15)20-18(17)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H
InChIKeyIJUXICAHHHJXOE-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.21
Rot. Bonds1

About 2-naphthalen-2-yl-1,2-benzothiazol-3-one

2-naphthalen-2-yl-1,2-benzothiazol-3-one (PubChem CID 25181215) has the molecular formula C17H11NOS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-naphthalen-2-yl-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-naphthalen-2-yl-1,2-benzothiazol-3-one
PubChem CID25181215
Molecular FormulaC17H11NOS
Molecular Weight277.35 g/mol
Exact Mass277.06
IUPAC Name2-naphthalen-2-yl-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1-c1ccc2ccccc2c1
InChIInChI=1S/C17H11NOS/c19-17-15-7-3-4-8-16(15)20-18(17)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H
InChIKeyIJUXICAHHHJXOE-UHFFFAOYSA-N
XLogP4.21
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-1,2-benzothiazol-3-one?
The IUPAC name of 2-naphthalen-2-yl-1,2-benzothiazol-3-one (CID 25181215) is 2-naphthalen-2-yl-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-naphthalen-2-yl-1,2-benzothiazol-3-one?
The canonical SMILES for 2-naphthalen-2-yl-1,2-benzothiazol-3-one is O=c1c2ccccc2sn1-c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-1,2-benzothiazol-3-one?
The InChIKey is IJUXICAHHHJXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NOS/c19-17-15-7-3-4-8-16(15)20-18(17)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H.
What are the key properties of 2-naphthalen-2-yl-1,2-benzothiazol-3-one?
2-naphthalen-2-yl-1,2-benzothiazol-3-one has a molecular weight of 277.35 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-1,2-benzothiazol-3-one is sourced from PubChem (CID 25181215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).