3-oxo-1H-[1,3]thiazolo[4,5-g]quinolin-2-one

C10H6N2O2S — CID 154317074

IUPAC3-oxo-1H-[1,3]thiazolo[4,5-g]quinolin-2-one
SMILESO=C1Nc2cc3cccnc3cc2S1=O
InChIInChI=1S/C10H6N2O2S/c13-10-12-8-4-6-2-1-3-11-7(6)5-9(8)15(10)14/h1-5H,(H,12,13)
InChIKeyXCAXSWXSCCRDFM-UHFFFAOYSA-N
MW218.24 g/mol
LogP1.89
Rot. Bonds

About 3-oxo-1H-[1,3]thiazolo[4,5-g]quinolin-2-one

3-oxo-1H-[1,3]thiazolo[4,5-g]quinolin-2-one (PubChem CID 154317074) has the molecular formula C10H6N2O2S and a molecular weight of 218.24 g/mol. Its IUPAC name is 3-oxo-1H-[1,3]thiazolo[4,5-g]quinolin-2-one.

Molecular Properties

Compound Name3-oxo-1H-[1,3]thiazolo[4,5-g]quinolin-2-one
PubChem CID154317074
Molecular FormulaC10H6N2O2S
Molecular Weight218.24 g/mol
Exact Mass218.01
IUPAC Name3-oxo-1H-[1,3]thiazolo[4,5-g]quinolin-2-one
SMILESO=C1Nc2cc3cccnc3cc2S1=O
InChIInChI=1S/C10H6N2O2S/c13-10-12-8-4-6-2-1-3-11-7(6)5-9(8)15(10)14/h1-5H,(H,12,13)
InChIKeyXCAXSWXSCCRDFM-UHFFFAOYSA-N
XLogP1.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

1H-pyrido[3,2-g]quinazoline-2,4-dione
CID 142642120
5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one
CID 86167510
2,3-dihydro-1H-pyrido[3,2-g][1,4]benzoxazine
CID 21353728
CID 87967042
CID 87967042
3-quinolin-6-yl-1H-pyridazin-6-one
CID 106519623
7H-benzo[g]quinolin-6-one
CID 176718507
quinolin-6-yl methanesulfonate
CID 157288502
1H-pyrrolo[3,2-g]quinoline;dihydrobromide
CID 67935451
quinoline-6-sulfonamide
CID 23273907
cyclododeca[g]quinoline
CID 173006173
carbonic acid;quinoline
CID 23206844
6-(2-methylsulfonylpropan-2-yl)quinoline
CID 91258076

Frequently Asked Questions

What is the IUPAC name of 3-oxo-1H-[1,3]thiazolo[4,5-g]quinolin-2-one?
The IUPAC name of 3-oxo-1H-[1,3]thiazolo[4,5-g]quinolin-2-one (CID 154317074) is 3-oxo-1H-[1,3]thiazolo[4,5-g]quinolin-2-one.
What is the SMILES notation for 3-oxo-1H-[1,3]thiazolo[4,5-g]quinolin-2-one?
The canonical SMILES for 3-oxo-1H-[1,3]thiazolo[4,5-g]quinolin-2-one is O=C1Nc2cc3cccnc3cc2S1=O.
What is the InChIKey of 3-oxo-1H-[1,3]thiazolo[4,5-g]quinolin-2-one?
The InChIKey is XCAXSWXSCCRDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O2S/c13-10-12-8-4-6-2-1-3-11-7(6)5-9(8)15(10)14/h1-5H,(H,12,13).
What are the key properties of 3-oxo-1H-[1,3]thiazolo[4,5-g]quinolin-2-one?
3-oxo-1H-[1,3]thiazolo[4,5-g]quinolin-2-one has a molecular weight of 218.24 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1H-[1,3]thiazolo[4,5-g]quinolin-2-one is sourced from PubChem (CID 154317074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).