2,6-difluoro-4-([1,2]thiazolo[3,4-d]pyrimidin-3-yldiazenyl)phenol

C11H5F2N5OS — CID 135982472

IUPAC2,6-difluoro-4-([1,2]thiazolo[3,4-d]pyrimidin-3-yldiazenyl)phenol
SMILESOc1c(F)cc(/N=N/c2snc3ncncc23)cc1F
InChIInChI=1S/C11H5F2N5OS/c12-7-1-5(2-8(13)9(7)19)16-17-11-6-3-14-4-15-10(6)18-20-11/h1-4,19H/b17-16+
InChIKeyJHIFCAYSOHWRCK-WUKNDPDISA-N
MW293.26 g/mol
LogP3.49
Rot. Bonds2

About 2,6-difluoro-4-([1,2]thiazolo[3,4-d]pyrimidin-3-yldiazenyl)phenol

2,6-difluoro-4-([1,2]thiazolo[3,4-d]pyrimidin-3-yldiazenyl)phenol (PubChem CID 135982472) has the molecular formula C11H5F2N5OS and a molecular weight of 293.26 g/mol. Its IUPAC name is 2,6-difluoro-4-([1,2]thiazolo[3,4-d]pyrimidin-3-yldiazenyl)phenol.

Molecular Properties

Compound Name2,6-difluoro-4-([1,2]thiazolo[3,4-d]pyrimidin-3-yldiazenyl)phenol
PubChem CID135982472
Molecular FormulaC11H5F2N5OS
Molecular Weight293.26 g/mol
Exact Mass293.02
IUPAC Name2,6-difluoro-4-([1,2]thiazolo[3,4-d]pyrimidin-3-yldiazenyl)phenol
SMILESOc1c(F)cc(/N=N/c2snc3ncncc23)cc1F
InChIInChI=1S/C11H5F2N5OS/c12-7-1-5(2-8(13)9(7)19)16-17-11-6-3-14-4-15-10(6)18-20-11/h1-4,19H/b17-16+
InChIKeyJHIFCAYSOHWRCK-WUKNDPDISA-N
XLogP3.49
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2,6-difluoro-4-([1,2]thiazolo[3,4-d]pyrimidin-3-yldiazenyl)phenol?
The IUPAC name of 2,6-difluoro-4-([1,2]thiazolo[3,4-d]pyrimidin-3-yldiazenyl)phenol (CID 135982472) is 2,6-difluoro-4-([1,2]thiazolo[3,4-d]pyrimidin-3-yldiazenyl)phenol.
What is the SMILES notation for 2,6-difluoro-4-([1,2]thiazolo[3,4-d]pyrimidin-3-yldiazenyl)phenol?
The canonical SMILES for 2,6-difluoro-4-([1,2]thiazolo[3,4-d]pyrimidin-3-yldiazenyl)phenol is Oc1c(F)cc(/N=N/c2snc3ncncc23)cc1F.
What is the InChIKey of 2,6-difluoro-4-([1,2]thiazolo[3,4-d]pyrimidin-3-yldiazenyl)phenol?
The InChIKey is JHIFCAYSOHWRCK-WUKNDPDISA-N. The full InChI is InChI=1S/C11H5F2N5OS/c12-7-1-5(2-8(13)9(7)19)16-17-11-6-3-14-4-15-10(6)18-20-11/h1-4,19H/b17-16+.
What are the key properties of 2,6-difluoro-4-([1,2]thiazolo[3,4-d]pyrimidin-3-yldiazenyl)phenol?
2,6-difluoro-4-([1,2]thiazolo[3,4-d]pyrimidin-3-yldiazenyl)phenol has a molecular weight of 293.26 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-([1,2]thiazolo[3,4-d]pyrimidin-3-yldiazenyl)phenol is sourced from PubChem (CID 135982472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).