2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one

C16H11N3OS — CID 104826612

IUPAC2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one
SMILESNc1ccc(-n2sc3ccccc3c2=O)c2cccnc12
InChIInChI=1S/C16H11N3OS/c17-12-7-8-13(10-5-3-9-18-15(10)12)19-16(20)11-4-1-2-6-14(11)21-19/h1-9H,17H2
InChIKeyJEVJSTUBELGPKQ-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.18
Rot. Bonds1

About 2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one

2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one (PubChem CID 104826612) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one
PubChem CID104826612
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one
SMILESNc1ccc(-n2sc3ccccc3c2=O)c2cccnc12
InChIInChI=1S/C16H11N3OS/c17-12-7-8-13(10-5-3-9-18-15(10)12)19-16(20)11-4-1-2-6-14(11)21-19/h1-9H,17H2
InChIKeyJEVJSTUBELGPKQ-UHFFFAOYSA-N
XLogP3.18
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.18
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-(1,3-dihydroisoindol-2-yl)quinolin-8-amine
CID 62204659
2-(8-aminoquinolin-5-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 104826611
5-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-8-amine
CID 43581386
2-(3-amino-4-methylphenyl)-1,2-benzothiazol-3-one
CID 81435543
5-(1,2,4-triazol-1-yl)quinolin-8-amine
CID 43449577
2-[2-(3-aminoprop-1-ynyl)phenyl]-1,2-benzothiazol-3-one
CID 81434406
5-(3,5-dimethyl-1,2,4-triazol-1-yl)quinolin-8-amine
CID 61345299
1-(8-aminoquinolin-5-yl)piperidin-4-ol
CID 43382826
2-[2-(1-aminoethyl)phenyl]-1,2-benzothiazol-3-one
CID 81434576
2-(3-chloro-2,4-difluorophenyl)-1,2-benzothiazol-3-one
CID 22416256
5-[4-(dimethylamino)piperidin-1-yl]quinolin-8-amine
CID 43585725
2-[(pyridin-2-ylamino)methyl]-1,2-benzothiazol-3-one
CID 70550314

Frequently Asked Questions

What is the IUPAC name of 2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one?
The IUPAC name of 2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one (CID 104826612) is 2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one?
The canonical SMILES for 2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one is Nc1ccc(-n2sc3ccccc3c2=O)c2cccnc12.
What is the InChIKey of 2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one?
The InChIKey is JEVJSTUBELGPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c17-12-7-8-13(10-5-3-9-18-15(10)12)19-16(20)11-4-1-2-6-14(11)21-19/h1-9H,17H2.
What are the key properties of 2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one?
2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one has a molecular weight of 293.35 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one is sourced from PubChem (CID 104826612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).