2-amino-3-(1,3-benzothiazol-2-yl)-1H-quinolin-4-one

C16H11N3OS — CID 11748385

IUPAC2-amino-3-(1,3-benzothiazol-2-yl)-1H-quinolin-4-one
SMILESNc1[nH]c2ccccc2c(=O)c1-c1nc2ccccc2s1
InChIInChI=1S/C16H11N3OS/c17-15-13(14(20)9-5-1-2-6-10(9)18-15)16-19-11-7-3-4-8-12(11)21-16/h1-8H,(H3,17,18,20)
InChIKeyHVTRERSYKUDBOU-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.39
Rot. Bonds1

About 2-amino-3-(1,3-benzothiazol-2-yl)-1H-quinolin-4-one

2-amino-3-(1,3-benzothiazol-2-yl)-1H-quinolin-4-one (PubChem CID 11748385) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-amino-3-(1,3-benzothiazol-2-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-amino-3-(1,3-benzothiazol-2-yl)-1H-quinolin-4-one
PubChem CID11748385
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name2-amino-3-(1,3-benzothiazol-2-yl)-1H-quinolin-4-one
SMILESNc1[nH]c2ccccc2c(=O)c1-c1nc2ccccc2s1
InChIInChI=1S/C16H11N3OS/c17-15-13(14(20)9-5-1-2-6-10(9)18-15)16-19-11-7-3-4-8-12(11)21-16/h1-8H,(H3,17,18,20)
InChIKeyHVTRERSYKUDBOU-UHFFFAOYSA-N
XLogP3.39
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzothiazol-2-yl)-1H-quinoline-2-thione
CID 2512502
3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol
CID 143131565
4-(1,3-benzothiazol-2-yl)-5-cyclopropyl-1H-pyrazol-3-amine
CID 162259948
5-[[5-amino-4-(1,3-benzothiazol-2-yl)-3-phenyl-1H-pyrrol-2-yl]methylidene]-3-(1,3-benzothiazol-2-yl)-4-phenylpyrrol-2-amine
CID 123780078
2-(1,3-benzothiazol-2-yl)cyclopenta[a]naphthalene-1,3-dione
CID 3124710
2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056267
3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine
CID 2735376
2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrachloro-3-hydroxycyclohepta-2,4,6-trien-1-one
CID 137273564
3-N-(4-aminophenyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazole-3,5-diamine
CID 66768481
4-(1,3-benzothiazol-2-yl)-3-N-quinolin-5-yl-1H-pyrazole-3,5-diamine
CID 66768411
2-[3-[10-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 155788382
1-amino-4-(1,3-benzothiazol-2-yl)-9,10-dioxo-3-sulfanylanthracene-2-sulfonic acid
CID 163533245

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,3-benzothiazol-2-yl)-1H-quinolin-4-one?
The IUPAC name of 2-amino-3-(1,3-benzothiazol-2-yl)-1H-quinolin-4-one (CID 11748385) is 2-amino-3-(1,3-benzothiazol-2-yl)-1H-quinolin-4-one.
What is the SMILES notation for 2-amino-3-(1,3-benzothiazol-2-yl)-1H-quinolin-4-one?
The canonical SMILES for 2-amino-3-(1,3-benzothiazol-2-yl)-1H-quinolin-4-one is Nc1[nH]c2ccccc2c(=O)c1-c1nc2ccccc2s1.
What is the InChIKey of 2-amino-3-(1,3-benzothiazol-2-yl)-1H-quinolin-4-one?
The InChIKey is HVTRERSYKUDBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c17-15-13(14(20)9-5-1-2-6-10(9)18-15)16-19-11-7-3-4-8-12(11)21-16/h1-8H,(H3,17,18,20).
What are the key properties of 2-amino-3-(1,3-benzothiazol-2-yl)-1H-quinolin-4-one?
2-amino-3-(1,3-benzothiazol-2-yl)-1H-quinolin-4-one has a molecular weight of 293.35 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,3-benzothiazol-2-yl)-1H-quinolin-4-one is sourced from PubChem (CID 11748385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).