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

C17H13NOS — CID 13074637

IUPAC1-(2,3-dihydro-1,3-benzothiazol-2-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C1Nc2ccccc2S1
InChIInChI=1S/C17H13NOS/c19-14-10-9-11-5-1-2-6-12(11)16(14)17-18-13-7-3-4-8-15(13)20-17/h1-10,17-19H
InChIKeyWNQPJZWRNDYNNA-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.76
Rot. Bonds1

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

1-(2,3-dihydro-1,3-benzothiazol-2-yl)naphthalen-2-ol (PubChem CID 13074637) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,3-benzothiazol-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,3-benzothiazol-2-yl)naphthalen-2-ol
PubChem CID13074637
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC Name1-(2,3-dihydro-1,3-benzothiazol-2-yl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C1Nc2ccccc2S1
InChIInChI=1S/C17H13NOS/c19-14-10-9-11-5-1-2-6-12(11)16(14)17-18-13-7-3-4-8-15(13)20-17/h1-10,17-19H
InChIKeyWNQPJZWRNDYNNA-UHFFFAOYSA-N
XLogP4.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,3-benzothiazol-2-yl)naphthalen-2-ol?
The IUPAC name of 1-(2,3-dihydro-1,3-benzothiazol-2-yl)naphthalen-2-ol (CID 13074637) is 1-(2,3-dihydro-1,3-benzothiazol-2-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1,3-benzothiazol-2-yl)naphthalen-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1,3-benzothiazol-2-yl)naphthalen-2-ol is Oc1ccc2ccccc2c1C1Nc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1,3-benzothiazol-2-yl)naphthalen-2-ol?
The InChIKey is WNQPJZWRNDYNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS/c19-14-10-9-11-5-1-2-6-12(11)16(14)17-18-13-7-3-4-8-15(13)20-17/h1-10,17-19H.
What are the key properties of 1-(2,3-dihydro-1,3-benzothiazol-2-yl)naphthalen-2-ol?
1-(2,3-dihydro-1,3-benzothiazol-2-yl)naphthalen-2-ol has a molecular weight of 279.36 g/mol, XLogP of 4.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,3-benzothiazol-2-yl)naphthalen-2-ol is sourced from PubChem (CID 13074637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).