pyrazolo[5,1-b][1,3]thiazole-6,7-diamine

C5H6N4S — CID 21107756

IUPACpyrazolo[5,1-b][1,3]thiazole-6,7-diamine
SMILESNc1nn2ccsc2c1N
InChIInChI=1S/C5H6N4S/c6-3-4(7)8-9-1-2-10-5(3)9/h1-2H,6H2,(H2,7,8)
InChIKeyCAJPULGXSDOVFU-UHFFFAOYSA-N
MW154.20 g/mol
LogP0.56
Rot. Bonds

About pyrazolo[5,1-b][1,3]thiazole-6,7-diamine

pyrazolo[5,1-b][1,3]thiazole-6,7-diamine (PubChem CID 21107756) has the molecular formula C5H6N4S and a molecular weight of 154.20 g/mol. Its IUPAC name is pyrazolo[5,1-b][1,3]thiazole-6,7-diamine.

Molecular Properties

Compound Namepyrazolo[5,1-b][1,3]thiazole-6,7-diamine
PubChem CID21107756
Molecular FormulaC5H6N4S
Molecular Weight154.20 g/mol
Exact Mass154.03
IUPAC Namepyrazolo[5,1-b][1,3]thiazole-6,7-diamine
SMILESNc1nn2ccsc2c1N
InChIInChI=1S/C5H6N4S/c6-3-4(7)8-9-1-2-10-5(3)9/h1-2H,6H2,(H2,7,8)
InChIKeyCAJPULGXSDOVFU-UHFFFAOYSA-N
XLogP0.56
TPSA69.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.20
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[5,1-b][1,3]thiazole-6,7-diamine?
The IUPAC name of pyrazolo[5,1-b][1,3]thiazole-6,7-diamine (CID 21107756) is pyrazolo[5,1-b][1,3]thiazole-6,7-diamine.
What is the SMILES notation for pyrazolo[5,1-b][1,3]thiazole-6,7-diamine?
The canonical SMILES for pyrazolo[5,1-b][1,3]thiazole-6,7-diamine is Nc1nn2ccsc2c1N.
What is the InChIKey of pyrazolo[5,1-b][1,3]thiazole-6,7-diamine?
The InChIKey is CAJPULGXSDOVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4S/c6-3-4(7)8-9-1-2-10-5(3)9/h1-2H,6H2,(H2,7,8).
What are the key properties of pyrazolo[5,1-b][1,3]thiazole-6,7-diamine?
pyrazolo[5,1-b][1,3]thiazole-6,7-diamine has a molecular weight of 154.20 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[5,1-b][1,3]thiazole-6,7-diamine is sourced from PubChem (CID 21107756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).