2-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C17H15NOS — CID 62715538

IUPAC2-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESOC1CCCc2nc(-c3cccc4ccccc34)sc21
InChIInChI=1S/C17H15NOS/c19-15-10-4-9-14-16(15)20-17(18-14)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,15,19H,4,9-10H2
InChIKeyWZWXUEWPDULEMN-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.33
Rot. Bonds1

About 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 62715538) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID62715538
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name2-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESOC1CCCc2nc(-c3cccc4ccccc34)sc21
InChIInChI=1S/C17H15NOS/c19-15-10-4-9-14-16(15)20-17(18-14)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,15,19H,4,9-10H2
InChIKeyWZWXUEWPDULEMN-UHFFFAOYSA-N
XLogP4.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 62715538) is 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is OC1CCCc2nc(-c3cccc4ccccc34)sc21.
What is the InChIKey of 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is WZWXUEWPDULEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c19-15-10-4-9-14-16(15)20-17(18-14)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,15,19H,4,9-10H2.
What are the key properties of 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 281.38 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62715538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).