5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2-benzothiazol-3-amine

C13H9N5S — CID 167863871

IUPAC5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2-benzothiazol-3-amine
SMILESNc1nsc2ccc(-c3cnn4cccnc34)cc12
InChIInChI=1S/C13H9N5S/c14-12-9-6-8(2-3-11(9)19-17-12)10-7-16-18-5-1-4-15-13(10)18/h1-7H,(H2,14,17)
InChIKeyVNEBYWIUSUFDBX-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.59
Rot. Bonds1

About 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2-benzothiazol-3-amine

5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2-benzothiazol-3-amine (PubChem CID 167863871) has the molecular formula C13H9N5S and a molecular weight of 267.32 g/mol. Its IUPAC name is 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2-benzothiazol-3-amine.

Molecular Properties

Compound Name5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2-benzothiazol-3-amine
PubChem CID167863871
Molecular FormulaC13H9N5S
Molecular Weight267.32 g/mol
Exact Mass267.06
IUPAC Name5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2-benzothiazol-3-amine
SMILESNc1nsc2ccc(-c3cnn4cccnc34)cc12
InChIInChI=1S/C13H9N5S/c14-12-9-6-8(2-3-11(9)19-17-12)10-7-16-18-5-1-4-15-13(10)18/h1-7H,(H2,14,17)
InChIKeyVNEBYWIUSUFDBX-UHFFFAOYSA-N
XLogP2.59
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2-benzothiazol-3-amine?
The IUPAC name of 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2-benzothiazol-3-amine (CID 167863871) is 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2-benzothiazol-3-amine.
What is the SMILES notation for 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2-benzothiazol-3-amine?
The canonical SMILES for 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2-benzothiazol-3-amine is Nc1nsc2ccc(-c3cnn4cccnc34)cc12.
What is the InChIKey of 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2-benzothiazol-3-amine?
The InChIKey is VNEBYWIUSUFDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5S/c14-12-9-6-8(2-3-11(9)19-17-12)10-7-16-18-5-1-4-15-13(10)18/h1-7H,(H2,14,17).
What are the key properties of 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2-benzothiazol-3-amine?
5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2-benzothiazol-3-amine has a molecular weight of 267.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2-benzothiazol-3-amine is sourced from PubChem (CID 167863871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).