N-hydroxy-4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzeneamine oxide

C12H9N3O3S — CID 21143909

IUPACN-hydroxy-4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzeneamine oxide
SMILESO=c1c2cccnc2sn1-c1ccc([NH+]([O-])O)cc1
InChIInChI=1S/C12H9N3O3S/c16-12-10-2-1-7-13-11(10)19-14(12)8-3-5-9(6-4-8)15(17)18/h1-7,15,17H
InChIKeyARPPCTMUDCEQKE-UHFFFAOYSA-N
MW275.29 g/mol
LogP0.85
Rot. Bonds2

About N-hydroxy-4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzeneamine oxide

N-hydroxy-4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzeneamine oxide (PubChem CID 21143909) has the molecular formula C12H9N3O3S and a molecular weight of 275.29 g/mol. Its IUPAC name is N-hydroxy-4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzeneamine oxide
PubChem CID21143909
Molecular FormulaC12H9N3O3S
Molecular Weight275.29 g/mol
Exact Mass275.04
IUPAC NameN-hydroxy-4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzeneamine oxide
SMILESO=c1c2cccnc2sn1-c1ccc([NH+]([O-])O)cc1
InChIInChI=1S/C12H9N3O3S/c16-12-10-2-1-7-13-11(10)19-14(12)8-3-5-9(6-4-8)15(17)18/h1-7,15,17H
InChIKeyARPPCTMUDCEQKE-UHFFFAOYSA-N
XLogP0.85
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzeneamine oxide?
The IUPAC name of N-hydroxy-4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzeneamine oxide (CID 21143909) is N-hydroxy-4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzeneamine oxide.
What is the SMILES notation for N-hydroxy-4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzeneamine oxide?
The canonical SMILES for N-hydroxy-4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzeneamine oxide is O=c1c2cccnc2sn1-c1ccc([NH+]([O-])O)cc1.
What is the InChIKey of N-hydroxy-4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzeneamine oxide?
The InChIKey is ARPPCTMUDCEQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S/c16-12-10-2-1-7-13-11(10)19-14(12)8-3-5-9(6-4-8)15(17)18/h1-7,15,17H.
What are the key properties of N-hydroxy-4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzeneamine oxide?
N-hydroxy-4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzeneamine oxide has a molecular weight of 275.29 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzeneamine oxide is sourced from PubChem (CID 21143909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).