5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C14H16N6S — CID 53317703

IUPAC5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(C2CCCNC2)nc2c(-c3cscn3)cnn12
InChIInChI=1S/C14H16N6S/c15-13-4-11(9-2-1-3-16-5-9)19-14-10(6-18-20(13)14)12-7-21-8-17-12/h4,6-9,16H,1-3,5,15H2
InChIKeyIOQATKGSQKOVAP-UHFFFAOYSA-N
MW300.39 g/mol
LogP1.90
Rot. Bonds2

About 5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53317703) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID53317703
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(C2CCCNC2)nc2c(-c3cscn3)cnn12
InChIInChI=1S/C14H16N6S/c15-13-4-11(9-2-1-3-16-5-9)19-14-10(6-18-20(13)14)12-7-21-8-17-12/h4,6-9,16H,1-3,5,15H2
InChIKeyIOQATKGSQKOVAP-UHFFFAOYSA-N
XLogP1.90
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 53317703) is 5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1cc(C2CCCNC2)nc2c(-c3cscn3)cnn12.
What is the InChIKey of 5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IOQATKGSQKOVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c15-13-4-11(9-2-1-3-16-5-9)19-14-10(6-18-20(13)14)12-7-21-8-17-12/h4,6-9,16H,1-3,5,15H2.
What are the key properties of 5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 300.39 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-3-yl-3-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53317703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).