[(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C15H15N5OS — CID 125024045

IUPAC[(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCC[C@H]1c1ccn2nccc2n1
InChIInChI=1S/C15H15N5OS/c21-15(12-9-22-10-16-12)19-7-2-1-3-13(19)11-5-8-20-14(18-11)4-6-17-20/h4-6,8-10,13H,1-3,7H2/t13-/m0/s1
InChIKeyZCQUZVWOWSNAEP-ZDUSSCGKSA-N
MW313.39 g/mol
LogP2.55
Rot. Bonds2

About [(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 125024045) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is [(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID125024045
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name[(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCC[C@H]1c1ccn2nccc2n1
InChIInChI=1S/C15H15N5OS/c21-15(12-9-22-10-16-12)19-7-2-1-3-13(19)11-5-8-20-14(18-11)4-6-17-20/h4-6,8-10,13H,1-3,7H2/t13-/m0/s1
InChIKeyZCQUZVWOWSNAEP-ZDUSSCGKSA-N
XLogP2.55
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 110118432
pyrazolo[1,5-a]pyrimidin-3-yl-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110118394
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110118399
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone
CID 125004350
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 55142862
2-(2-fluorophenoxy)-1-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110118435
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]methanone
CID 125026661
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone
CID 125003566
N-[[6-[(2R)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 95839584
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 58029672
[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124971823
[2-[6-(4-fluorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110270237

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 125024045) is [(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCCC[C@H]1c1ccn2nccc2n1.
What is the InChIKey of [(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is ZCQUZVWOWSNAEP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15N5OS/c21-15(12-9-22-10-16-12)19-7-2-1-3-13(19)11-5-8-20-14(18-11)4-6-17-20/h4-6,8-10,13H,1-3,7H2/t13-/m0/s1.
What are the key properties of [(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 313.39 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 125024045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).