2-quinolin-7-yloxy-1,3-benzothiazol-6-amine

C16H11N3OS — CID 107313184

IUPAC2-quinolin-7-yloxy-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(Oc3ccc4cccnc4c3)sc2c1
InChIInChI=1S/C16H11N3OS/c17-11-4-6-13-15(8-11)21-16(19-13)20-12-5-3-10-2-1-7-18-14(10)9-12/h1-9H,17H2
InChIKeyIKZLHWJNNASOIR-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.22
Rot. Bonds2

About 2-quinolin-7-yloxy-1,3-benzothiazol-6-amine

2-quinolin-7-yloxy-1,3-benzothiazol-6-amine (PubChem CID 107313184) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-quinolin-7-yloxy-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-quinolin-7-yloxy-1,3-benzothiazol-6-amine
PubChem CID107313184
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name2-quinolin-7-yloxy-1,3-benzothiazol-6-amine
SMILESNc1ccc2nc(Oc3ccc4cccnc4c3)sc2c1
InChIInChI=1S/C16H11N3OS/c17-11-4-6-13-15(8-11)21-16(19-13)20-12-5-3-10-2-1-7-18-14(10)9-12/h1-9H,17H2
InChIKeyIKZLHWJNNASOIR-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

2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine
CID 55176124
2-(4-bromophenoxy)-1,3-benzothiazol-6-amine
CID 55175741
2-(3-tert-butylphenoxy)-1,3-benzothiazol-6-amine
CID 63456627
3-[(6-amino-1,3-benzothiazol-2-yl)oxy]benzonitrile
CID 55176316
2-quinolin-7-yloxypyridin-3-amine
CID 107313182
5-amino-2-quinolin-7-yloxybenzoic acid
CID 107314381
7-pyridin-4-yloxyquinoline
CID 141187990
6-nitro-2-(4-pyridin-2-yloxyphenoxy)-1,3-benzothiazole
CID 56575187
(2-quinolin-7-yloxypyrimidin-5-yl)methanamine
CID 107314265
5-iodo-2-quinolin-7-yloxyaniline
CID 107313234
2-methyl-6-quinolin-7-yloxypyrimidin-4-amine
CID 107315849
2-amino-4-quinolin-7-yloxybenzonitrile
CID 107313214

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-7-yloxy-1,3-benzothiazol-6-amine?
The IUPAC name of 2-quinolin-7-yloxy-1,3-benzothiazol-6-amine (CID 107313184) is 2-quinolin-7-yloxy-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-quinolin-7-yloxy-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-quinolin-7-yloxy-1,3-benzothiazol-6-amine is Nc1ccc2nc(Oc3ccc4cccnc4c3)sc2c1.
What is the InChIKey of 2-quinolin-7-yloxy-1,3-benzothiazol-6-amine?
The InChIKey is IKZLHWJNNASOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c17-11-4-6-13-15(8-11)21-16(19-13)20-12-5-3-10-2-1-7-18-14(10)9-12/h1-9H,17H2.
What are the key properties of 2-quinolin-7-yloxy-1,3-benzothiazol-6-amine?
2-quinolin-7-yloxy-1,3-benzothiazol-6-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 2-quinolin-7-yloxy-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107313184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).