9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one

C16H12N2O2S — CID 12720089

IUPAC9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one
SMILESCCOc1ccc2c(c1)sc1nc(=O)c3ccccc3n12
InChIInChI=1S/C16H12N2O2S/c1-2-20-10-7-8-13-14(9-10)21-16-17-15(19)11-5-3-4-6-12(11)18(13)16/h3-9H,2H2,1H3
InChIKeyFNCGQVKZTBNPPS-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.46
Rot. Bonds2

About 9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one

9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one (PubChem CID 12720089) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is 9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one.

Molecular Properties

Compound Name9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one
PubChem CID12720089
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one
SMILESCCOc1ccc2c(c1)sc1nc(=O)c3ccccc3n12
InChIInChI=1S/C16H12N2O2S/c1-2-20-10-7-8-13-14(9-10)21-16-17-15(19)11-5-3-4-6-12(11)18(13)16/h3-9H,2H2,1H3
InChIKeyFNCGQVKZTBNPPS-UHFFFAOYSA-N
XLogP3.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209649
6-ethoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 155813131
2-(3,4-dimethylphenyl)-6-ethoxy-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209845
6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209642
1-(2,4-dimethoxyphenyl)-6-ethoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
CID 155816074
2-(4-ethoxyphenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
CID 19209596
2-(6-ethoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)ethanamine
CID 82167442
(6-ethoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)methanamine
CID 28750479
6-ethoxy-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)imidazo[2,1-b][1,3]benzothiazol-1-amine
CID 53205441
2-(4-ethoxyphenyl)-1,6-dimethylimidazo[2,1-b][1,3]benzothiazole
CID 19209609
6-ethoxy-2-(2-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 19209658
2-ethoxythioxanthen-9-one
CID 14150410

Frequently Asked Questions

What is the IUPAC name of 9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one?
The IUPAC name of 9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one (CID 12720089) is 9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one.
What is the SMILES notation for 9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one?
The canonical SMILES for 9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one is CCOc1ccc2c(c1)sc1nc(=O)c3ccccc3n12.
What is the InChIKey of 9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one?
The InChIKey is FNCGQVKZTBNPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c1-2-20-10-7-8-13-14(9-10)21-16-17-15(19)11-5-3-4-6-12(11)18(13)16/h3-9H,2H2,1H3.
What are the key properties of 9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one?
9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one has a molecular weight of 296.35 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxy-[1,3]benzothiazolo[3,2-a]quinazolin-5-one is sourced from PubChem (CID 12720089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).