pyrazolo[5,1-b][1,3]thiazol-6-amine

C5H5N3S — CID 21107749

IUPACpyrazolo[5,1-b][1,3]thiazol-6-amine
SMILESNc1cc2sccn2n1
InChIInChI=1S/C5H5N3S/c6-4-3-5-8(7-4)1-2-9-5/h1-3H,(H2,6,7)
InChIKeyCOBVCVPEVKKSAL-UHFFFAOYSA-N
MW139.18 g/mol
LogP0.98
Rot. Bonds

About pyrazolo[5,1-b][1,3]thiazol-6-amine

pyrazolo[5,1-b][1,3]thiazol-6-amine (PubChem CID 21107749) has the molecular formula C5H5N3S and a molecular weight of 139.18 g/mol. Its IUPAC name is pyrazolo[5,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Namepyrazolo[5,1-b][1,3]thiazol-6-amine
PubChem CID21107749
Molecular FormulaC5H5N3S
Molecular Weight139.18 g/mol
Exact Mass139.02
IUPAC Namepyrazolo[5,1-b][1,3]thiazol-6-amine
SMILESNc1cc2sccn2n1
InChIInChI=1S/C5H5N3S/c6-4-3-5-8(7-4)1-2-9-5/h1-3H,(H2,6,7)
InChIKeyCOBVCVPEVKKSAL-UHFFFAOYSA-N
XLogP0.98
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[5,1-b][1,3]thiazol-6-amine?
The IUPAC name of pyrazolo[5,1-b][1,3]thiazol-6-amine (CID 21107749) is pyrazolo[5,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for pyrazolo[5,1-b][1,3]thiazol-6-amine?
The canonical SMILES for pyrazolo[5,1-b][1,3]thiazol-6-amine is Nc1cc2sccn2n1.
What is the InChIKey of pyrazolo[5,1-b][1,3]thiazol-6-amine?
The InChIKey is COBVCVPEVKKSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3S/c6-4-3-5-8(7-4)1-2-9-5/h1-3H,(H2,6,7).
What are the key properties of pyrazolo[5,1-b][1,3]thiazol-6-amine?
pyrazolo[5,1-b][1,3]thiazol-6-amine has a molecular weight of 139.18 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[5,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 21107749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).