2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole

C15H17N5S — CID 69255587

IUPAC2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole
SMILESCc1cc2nccc(N3CCC(c4nccs4)CC3)n2n1
InChIInChI=1S/C15H17N5S/c1-11-10-13-16-5-2-14(20(13)18-11)19-7-3-12(4-8-19)15-17-6-9-21-15/h2,5-6,9-10,12H,3-4,7-8H2,1H3
InChIKeyZJIYWARHFPQVCR-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.88
Rot. Bonds2

About 2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole

2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole (PubChem CID 69255587) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole
PubChem CID69255587
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole
SMILESCc1cc2nccc(N3CCC(c4nccs4)CC3)n2n1
InChIInChI=1S/C15H17N5S/c1-11-10-13-16-5-2-14(20(13)18-11)19-7-3-12(4-8-19)15-17-6-9-21-15/h2,5-6,9-10,12H,3-4,7-8H2,1H3
InChIKeyZJIYWARHFPQVCR-UHFFFAOYSA-N
XLogP2.88
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole (CID 69255587) is 2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole is Cc1cc2nccc(N3CCC(c4nccs4)CC3)n2n1.
What is the InChIKey of 2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole?
The InChIKey is ZJIYWARHFPQVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-11-10-13-16-5-2-14(20(13)18-11)19-7-3-12(4-8-19)15-17-6-9-21-15/h2,5-6,9-10,12H,3-4,7-8H2,1H3.
What are the key properties of 2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole?
2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole has a molecular weight of 299.40 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 69255587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).