1-oxo-5H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid

C12H9NO3S — CID 88506853

IUPAC1-oxo-5H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
SMILESO=C(O)C1=C2SCC(=O)N2c2ccccc2C1
InChIInChI=1S/C12H9NO3S/c14-10-6-17-11-8(12(15)16)5-7-3-1-2-4-9(7)13(10)11/h1-4H,5-6H2,(H,15,16)
InChIKeyRCRJSMHJOJPOTG-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.62
Rot. Bonds1

About 1-oxo-5H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid

1-oxo-5H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid (PubChem CID 88506853) has the molecular formula C12H9NO3S and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-oxo-5H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-oxo-5H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
PubChem CID88506853
Molecular FormulaC12H9NO3S
Molecular Weight247.27 g/mol
Exact Mass247.03
IUPAC Name1-oxo-5H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
SMILESO=C(O)C1=C2SCC(=O)N2c2ccccc2C1
InChIInChI=1S/C12H9NO3S/c14-10-6-17-11-8(12(15)16)5-7-3-1-2-4-9(7)13(10)11/h1-4H,5-6H2,(H,15,16)
InChIKeyRCRJSMHJOJPOTG-UHFFFAOYSA-N
XLogP1.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-5H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid?
The IUPAC name of 1-oxo-5H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid (CID 88506853) is 1-oxo-5H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid.
What is the SMILES notation for 1-oxo-5H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid?
The canonical SMILES for 1-oxo-5H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid is O=C(O)C1=C2SCC(=O)N2c2ccccc2C1.
What is the InChIKey of 1-oxo-5H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid?
The InChIKey is RCRJSMHJOJPOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3S/c14-10-6-17-11-8(12(15)16)5-7-3-1-2-4-9(7)13(10)11/h1-4H,5-6H2,(H,15,16).
What are the key properties of 1-oxo-5H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid?
1-oxo-5H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid has a molecular weight of 247.27 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-5H-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid is sourced from PubChem (CID 88506853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).