8-oxo-9H-[1,3]thiazolo[5,4-h]quinoline-7-carbonitrile

C11H5N3OS — CID 69373032

IUPAC8-oxo-9H-[1,3]thiazolo[5,4-h]quinoline-7-carbonitrile
SMILESN#Cc1cc2ccc3scnc3c2[nH]c1=O
InChIInChI=1S/C11H5N3OS/c12-4-7-3-6-1-2-8-10(13-5-16-8)9(6)14-11(7)15/h1-3,5H,(H,14,15)
InChIKeyCQCBHYGZLHWBTJ-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.01
Rot. Bonds

About 8-oxo-9H-[1,3]thiazolo[5,4-h]quinoline-7-carbonitrile

8-oxo-9H-[1,3]thiazolo[5,4-h]quinoline-7-carbonitrile (PubChem CID 69373032) has the molecular formula C11H5N3OS and a molecular weight of 227.25 g/mol. Its IUPAC name is 8-oxo-9H-[1,3]thiazolo[5,4-h]quinoline-7-carbonitrile.

Molecular Properties

Compound Name8-oxo-9H-[1,3]thiazolo[5,4-h]quinoline-7-carbonitrile
PubChem CID69373032
Molecular FormulaC11H5N3OS
Molecular Weight227.25 g/mol
Exact Mass227.02
IUPAC Name8-oxo-9H-[1,3]thiazolo[5,4-h]quinoline-7-carbonitrile
SMILESN#Cc1cc2ccc3scnc3c2[nH]c1=O
InChIInChI=1S/C11H5N3OS/c12-4-7-3-6-1-2-8-10(13-5-16-8)9(6)14-11(7)15/h1-3,5H,(H,14,15)
InChIKeyCQCBHYGZLHWBTJ-UHFFFAOYSA-N
XLogP2.01
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-oxo-9H-[1,3]thiazolo[5,4-h]quinoline-7-carbonitrile?
The IUPAC name of 8-oxo-9H-[1,3]thiazolo[5,4-h]quinoline-7-carbonitrile (CID 69373032) is 8-oxo-9H-[1,3]thiazolo[5,4-h]quinoline-7-carbonitrile.
What is the SMILES notation for 8-oxo-9H-[1,3]thiazolo[5,4-h]quinoline-7-carbonitrile?
The canonical SMILES for 8-oxo-9H-[1,3]thiazolo[5,4-h]quinoline-7-carbonitrile is N#Cc1cc2ccc3scnc3c2[nH]c1=O.
What is the InChIKey of 8-oxo-9H-[1,3]thiazolo[5,4-h]quinoline-7-carbonitrile?
The InChIKey is CQCBHYGZLHWBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5N3OS/c12-4-7-3-6-1-2-8-10(13-5-16-8)9(6)14-11(7)15/h1-3,5H,(H,14,15).
What are the key properties of 8-oxo-9H-[1,3]thiazolo[5,4-h]quinoline-7-carbonitrile?
8-oxo-9H-[1,3]thiazolo[5,4-h]quinoline-7-carbonitrile has a molecular weight of 227.25 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-9H-[1,3]thiazolo[5,4-h]quinoline-7-carbonitrile is sourced from PubChem (CID 69373032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).