2-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazole

C15H18N6S — CID 74767291

IUPAC2-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazole
SMILESc1csc(-c2ncnc3c2cnn3CCN2CCCCC2)n1
InChIInChI=1S/C15H18N6S/c1-2-5-20(6-3-1)7-8-21-14-12(10-19-21)13(17-11-18-14)15-16-4-9-22-15/h4,9-11H,1-3,5-8H2
InChIKeyJUAXCSCTDXSQIO-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.44
Rot. Bonds4

About 2-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazole

2-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazole (PubChem CID 74767291) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is 2-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazole
PubChem CID74767291
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name2-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazole
SMILESc1csc(-c2ncnc3c2cnn3CCN2CCCCC2)n1
InChIInChI=1S/C15H18N6S/c1-2-5-20(6-3-1)7-8-21-14-12(10-19-21)13(17-11-18-14)15-16-4-9-22-15/h4,9-11H,1-3,5-8H2
InChIKeyJUAXCSCTDXSQIO-UHFFFAOYSA-N
XLogP2.44
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazole (CID 74767291) is 2-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazole is c1csc(-c2ncnc3c2cnn3CCN2CCCCC2)n1.
What is the InChIKey of 2-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazole?
The InChIKey is JUAXCSCTDXSQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-2-5-20(6-3-1)7-8-21-14-12(10-19-21)13(17-11-18-14)15-16-4-9-22-15/h4,9-11H,1-3,5-8H2.
What are the key properties of 2-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazole?
2-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazole has a molecular weight of 314.42 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 74767291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).