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

C15H18N6S — CID 74767364

IUPAC4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-thiazole
SMILESc1nc(-c2cnsc2)c2cnn(CCN3CCCCC3)c2n1
InChIInChI=1S/C15H18N6S/c1-2-4-20(5-3-1)6-7-21-15-13(9-18-21)14(16-11-17-15)12-8-19-22-10-12/h8-11H,1-7H2
InChIKeyOBOSSIOQXBMJCW-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.44
Rot. Bonds4

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

4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-thiazole (PubChem CID 74767364) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is 4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-thiazole.

Molecular Properties

Compound Name4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-thiazole
PubChem CID74767364
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-thiazole
SMILESc1nc(-c2cnsc2)c2cnn(CCN3CCCCC3)c2n1
InChIInChI=1S/C15H18N6S/c1-2-4-20(5-3-1)6-7-21-15-13(9-18-21)14(16-11-17-15)12-8-19-22-10-12/h8-11H,1-7H2
InChIKeyOBOSSIOQXBMJCW-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 4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-thiazole?
The IUPAC name of 4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-thiazole (CID 74767364) is 4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-thiazole.
What is the SMILES notation for 4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-thiazole?
The canonical SMILES for 4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-thiazole is c1nc(-c2cnsc2)c2cnn(CCN3CCCCC3)c2n1.
What is the InChIKey of 4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-thiazole?
The InChIKey is OBOSSIOQXBMJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-2-4-20(5-3-1)6-7-21-15-13(9-18-21)14(16-11-17-15)12-8-19-22-10-12/h8-11H,1-7H2.
What are the key properties of 4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-thiazole?
4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-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 4-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-thiazole is sourced from PubChem (CID 74767364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).