N-[5-hydroxy-8-([1,2]thiazolo[3,4-b]pyrazin-3-yldiazenyl)naphthalen-1-yl]methanesulfonamide

C16H12N6O3S2 — CID 135982467

IUPACN-[5-hydroxy-8-([1,2]thiazolo[3,4-b]pyrazin-3-yldiazenyl)naphthalen-1-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc2c(O)ccc(/N=N/c3snc4nccnc34)c12
InChIInChI=1S/C16H12N6O3S2/c1-27(24,25)22-11-4-2-3-9-12(23)6-5-10(13(9)11)19-20-16-14-15(21-26-16)18-8-7-17-14/h2-8,22-23H,1H3/b20-19+
InChIKeyGKNGPAHUIIVKPM-FMQUCBEESA-N
MW400.45 g/mol
LogP3.73
Rot. Bonds4

About N-[5-hydroxy-8-([1,2]thiazolo[3,4-b]pyrazin-3-yldiazenyl)naphthalen-1-yl]methanesulfonamide

N-[5-hydroxy-8-([1,2]thiazolo[3,4-b]pyrazin-3-yldiazenyl)naphthalen-1-yl]methanesulfonamide (PubChem CID 135982467) has the molecular formula C16H12N6O3S2 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-[5-hydroxy-8-([1,2]thiazolo[3,4-b]pyrazin-3-yldiazenyl)naphthalen-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-hydroxy-8-([1,2]thiazolo[3,4-b]pyrazin-3-yldiazenyl)naphthalen-1-yl]methanesulfonamide
PubChem CID135982467
Molecular FormulaC16H12N6O3S2
Molecular Weight400.45 g/mol
Exact Mass400.04
IUPAC NameN-[5-hydroxy-8-([1,2]thiazolo[3,4-b]pyrazin-3-yldiazenyl)naphthalen-1-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc2c(O)ccc(/N=N/c3snc4nccnc34)c12
InChIInChI=1S/C16H12N6O3S2/c1-27(24,25)22-11-4-2-3-9-12(23)6-5-10(13(9)11)19-20-16-14-15(21-26-16)18-8-7-17-14/h2-8,22-23H,1H3/b20-19+
InChIKeyGKNGPAHUIIVKPM-FMQUCBEESA-N
XLogP3.73
TPSA129.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-hydroxy-8-([1,2]thiazolo[3,4-b]pyrazin-3-yldiazenyl)naphthalen-1-yl]methanesulfonamide?
The IUPAC name of N-[5-hydroxy-8-([1,2]thiazolo[3,4-b]pyrazin-3-yldiazenyl)naphthalen-1-yl]methanesulfonamide (CID 135982467) is N-[5-hydroxy-8-([1,2]thiazolo[3,4-b]pyrazin-3-yldiazenyl)naphthalen-1-yl]methanesulfonamide.
What is the SMILES notation for N-[5-hydroxy-8-([1,2]thiazolo[3,4-b]pyrazin-3-yldiazenyl)naphthalen-1-yl]methanesulfonamide?
The canonical SMILES for N-[5-hydroxy-8-([1,2]thiazolo[3,4-b]pyrazin-3-yldiazenyl)naphthalen-1-yl]methanesulfonamide is CS(=O)(=O)Nc1cccc2c(O)ccc(/N=N/c3snc4nccnc34)c12.
What is the InChIKey of N-[5-hydroxy-8-([1,2]thiazolo[3,4-b]pyrazin-3-yldiazenyl)naphthalen-1-yl]methanesulfonamide?
The InChIKey is GKNGPAHUIIVKPM-FMQUCBEESA-N. The full InChI is InChI=1S/C16H12N6O3S2/c1-27(24,25)22-11-4-2-3-9-12(23)6-5-10(13(9)11)19-20-16-14-15(21-26-16)18-8-7-17-14/h2-8,22-23H,1H3/b20-19+.
What are the key properties of N-[5-hydroxy-8-([1,2]thiazolo[3,4-b]pyrazin-3-yldiazenyl)naphthalen-1-yl]methanesulfonamide?
N-[5-hydroxy-8-([1,2]thiazolo[3,4-b]pyrazin-3-yldiazenyl)naphthalen-1-yl]methanesulfonamide has a molecular weight of 400.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-hydroxy-8-([1,2]thiazolo[3,4-b]pyrazin-3-yldiazenyl)naphthalen-1-yl]methanesulfonamide is sourced from PubChem (CID 135982467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).