5-(2,1-benzothiazol-3-yloxy)quinolin-8-amine

C16H11N3OS — CID 116525566

IUPAC5-(2,1-benzothiazol-3-yloxy)quinolin-8-amine
SMILESNc1ccc(Oc2snc3ccccc23)c2cccnc12
InChIInChI=1S/C16H11N3OS/c17-12-7-8-14(11-5-3-9-18-15(11)12)20-16-10-4-1-2-6-13(10)19-21-16/h1-9H,17H2
InChIKeyWKFRWNUKQVZCKA-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.22
Rot. Bonds2

About 5-(2,1-benzothiazol-3-yloxy)quinolin-8-amine

5-(2,1-benzothiazol-3-yloxy)quinolin-8-amine (PubChem CID 116525566) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-(2,1-benzothiazol-3-yloxy)quinolin-8-amine.

Molecular Properties

Compound Name5-(2,1-benzothiazol-3-yloxy)quinolin-8-amine
PubChem CID116525566
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name5-(2,1-benzothiazol-3-yloxy)quinolin-8-amine
SMILESNc1ccc(Oc2snc3ccccc23)c2cccnc12
InChIInChI=1S/C16H11N3OS/c17-12-7-8-14(11-5-3-9-18-15(11)12)20-16-10-4-1-2-6-13(10)19-21-16/h1-9H,17H2
InChIKeyWKFRWNUKQVZCKA-UHFFFAOYSA-N
XLogP4.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(1,2,4-thiadiazol-5-yloxy)quinolin-8-amine
CID 116525595
5-(pyrimidin-2-ylmethoxy)quinolin-8-amine
CID 116524814
5-(2-iodophenoxy)quinolin-8-amine
CID 43479572
5-propan-2-yloxyquinolin-8-amine
CID 43449641
5-(4-chlorophenoxy)quinolin-8-amine
CID 43449608
3-(2,1-benzothiazol-3-yloxy)pyridine-2-carboxylic acid
CID 66355102
5-(5-fluoropyrimidin-2-yl)oxyquinolin-8-amine
CID 116525609
5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine
CID 116525568
5-(2,4,5-trichlorophenoxy)quinolin-8-amine
CID 43449630
5-(methoxymethoxy)quinolin-8-amine
CID 116524711
5-[(2-methyl-4-pyridinyl)oxy]quinolin-8-amine
CID 116525610
5-(2,5-dimethylphenoxy)quinolin-8-amine
CID 43449609

Frequently Asked Questions

What is the IUPAC name of 5-(2,1-benzothiazol-3-yloxy)quinolin-8-amine?
The IUPAC name of 5-(2,1-benzothiazol-3-yloxy)quinolin-8-amine (CID 116525566) is 5-(2,1-benzothiazol-3-yloxy)quinolin-8-amine.
What is the SMILES notation for 5-(2,1-benzothiazol-3-yloxy)quinolin-8-amine?
The canonical SMILES for 5-(2,1-benzothiazol-3-yloxy)quinolin-8-amine is Nc1ccc(Oc2snc3ccccc23)c2cccnc12.
What is the InChIKey of 5-(2,1-benzothiazol-3-yloxy)quinolin-8-amine?
The InChIKey is WKFRWNUKQVZCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c17-12-7-8-14(11-5-3-9-18-15(11)12)20-16-10-4-1-2-6-13(10)19-21-16/h1-9H,17H2.
What are the key properties of 5-(2,1-benzothiazol-3-yloxy)quinolin-8-amine?
5-(2,1-benzothiazol-3-yloxy)quinolin-8-amine has a molecular weight of 293.35 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,1-benzothiazol-3-yloxy)quinolin-8-amine is sourced from PubChem (CID 116525566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).