pyrazolo[3,4-e][1,3]thiazine

C5H3N3S — CID 163183768

IUPACpyrazolo[3,4-e][1,3]thiazine
SMILESc1ncc2nncc-2s1
InChIInChI=1S/C5H3N3S/c1-4-5(2-7-8-4)9-3-6-1/h1-3H
InChIKeyDEANJBWMTZOAHT-UHFFFAOYSA-N
MW137.17 g/mol
LogP1.04
Rot. Bonds

About pyrazolo[3,4-e][1,3]thiazine

pyrazolo[3,4-e][1,3]thiazine (PubChem CID 163183768) has the molecular formula C5H3N3S and a molecular weight of 137.17 g/mol. Its IUPAC name is pyrazolo[3,4-e][1,3]thiazine.

Molecular Properties

Compound Namepyrazolo[3,4-e][1,3]thiazine
PubChem CID163183768
Molecular FormulaC5H3N3S
Molecular Weight137.17 g/mol
Exact Mass137.00
IUPAC Namepyrazolo[3,4-e][1,3]thiazine
SMILESc1ncc2nncc-2s1
InChIInChI=1S/C5H3N3S/c1-4-5(2-7-8-4)9-3-6-1/h1-3H
InChIKeyDEANJBWMTZOAHT-UHFFFAOYSA-N
XLogP1.04
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.17
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[3,4-e][1,3]thiazine?
The IUPAC name of pyrazolo[3,4-e][1,3]thiazine (CID 163183768) is pyrazolo[3,4-e][1,3]thiazine.
What is the SMILES notation for pyrazolo[3,4-e][1,3]thiazine?
The canonical SMILES for pyrazolo[3,4-e][1,3]thiazine is c1ncc2nncc-2s1.
What is the InChIKey of pyrazolo[3,4-e][1,3]thiazine?
The InChIKey is DEANJBWMTZOAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3S/c1-4-5(2-7-8-4)9-3-6-1/h1-3H.
What are the key properties of pyrazolo[3,4-e][1,3]thiazine?
pyrazolo[3,4-e][1,3]thiazine has a molecular weight of 137.17 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[3,4-e][1,3]thiazine is sourced from PubChem (CID 163183768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).