2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-benzothiazol-3-one

C16H14N2OS — CID 81428484

IUPAC2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1-c1cccc2c1CCCN2
InChIInChI=1S/C16H14N2OS/c19-16-12-5-1-2-9-15(12)20-18(16)14-8-3-7-13-11(14)6-4-10-17-13/h1-3,5,7-9,17H,4,6,10H2
InChIKeyFSEUFKOWGFXYQA-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.41
Rot. Bonds1

About 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-benzothiazol-3-one

2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-benzothiazol-3-one (PubChem CID 81428484) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-benzothiazol-3-one
PubChem CID81428484
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1-c1cccc2c1CCCN2
InChIInChI=1S/C16H14N2OS/c19-16-12-5-1-2-9-15(12)20-18(16)14-8-3-7-13-11(14)6-4-10-17-13/h1-3,5,7-9,17H,4,6,10H2
InChIKeyFSEUFKOWGFXYQA-UHFFFAOYSA-N
XLogP3.41
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-benzothiazol-3-one?
The IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-benzothiazol-3-one (CID 81428484) is 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-benzothiazol-3-one?
The canonical SMILES for 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-benzothiazol-3-one is O=c1c2ccccc2sn1-c1cccc2c1CCCN2.
What is the InChIKey of 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-benzothiazol-3-one?
The InChIKey is FSEUFKOWGFXYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c19-16-12-5-1-2-9-15(12)20-18(16)14-8-3-7-13-11(14)6-4-10-17-13/h1-3,5,7-9,17H,4,6,10H2.
What are the key properties of 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-benzothiazol-3-one?
2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-benzothiazol-3-one has a molecular weight of 282.37 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,2-benzothiazol-3-one is sourced from PubChem (CID 81428484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).