3,3-dioxo-1,2-dihydro-[1,2]thiazolo[4,5-f]quinolin-9-amine

C10H9N3O2S — CID 58678062

IUPAC3,3-dioxo-1,2-dihydro-[1,2]thiazolo[4,5-f]quinolin-9-amine
SMILESNc1ccnc2ccc3c(c12)CNS3(=O)=O
InChIInChI=1S/C10H9N3O2S/c11-7-3-4-12-8-1-2-9-6(10(7)8)5-13-16(9,14)15/h1-4,13H,5H2,(H2,11,12)
InChIKeyZVOGDMZPEHXUHS-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.61
Rot. Bonds

About 3,3-dioxo-1,2-dihydro-[1,2]thiazolo[4,5-f]quinolin-9-amine

3,3-dioxo-1,2-dihydro-[1,2]thiazolo[4,5-f]quinolin-9-amine (PubChem CID 58678062) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 3,3-dioxo-1,2-dihydro-[1,2]thiazolo[4,5-f]quinolin-9-amine.

Molecular Properties

Compound Name3,3-dioxo-1,2-dihydro-[1,2]thiazolo[4,5-f]quinolin-9-amine
PubChem CID58678062
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name3,3-dioxo-1,2-dihydro-[1,2]thiazolo[4,5-f]quinolin-9-amine
SMILESNc1ccnc2ccc3c(c12)CNS3(=O)=O
InChIInChI=1S/C10H9N3O2S/c11-7-3-4-12-8-1-2-9-6(10(7)8)5-13-16(9,14)15/h1-4,13H,5H2,(H2,11,12)
InChIKeyZVOGDMZPEHXUHS-UHFFFAOYSA-N
XLogP0.61
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dioxo-1,2-dihydro-[1,2]thiazolo[4,5-f]quinolin-9-amine?
The IUPAC name of 3,3-dioxo-1,2-dihydro-[1,2]thiazolo[4,5-f]quinolin-9-amine (CID 58678062) is 3,3-dioxo-1,2-dihydro-[1,2]thiazolo[4,5-f]quinolin-9-amine.
What is the SMILES notation for 3,3-dioxo-1,2-dihydro-[1,2]thiazolo[4,5-f]quinolin-9-amine?
The canonical SMILES for 3,3-dioxo-1,2-dihydro-[1,2]thiazolo[4,5-f]quinolin-9-amine is Nc1ccnc2ccc3c(c12)CNS3(=O)=O.
What is the InChIKey of 3,3-dioxo-1,2-dihydro-[1,2]thiazolo[4,5-f]quinolin-9-amine?
The InChIKey is ZVOGDMZPEHXUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c11-7-3-4-12-8-1-2-9-6(10(7)8)5-13-16(9,14)15/h1-4,13H,5H2,(H2,11,12).
What are the key properties of 3,3-dioxo-1,2-dihydro-[1,2]thiazolo[4,5-f]quinolin-9-amine?
3,3-dioxo-1,2-dihydro-[1,2]thiazolo[4,5-f]quinolin-9-amine has a molecular weight of 235.27 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dioxo-1,2-dihydro-[1,2]thiazolo[4,5-f]quinolin-9-amine is sourced from PubChem (CID 58678062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).