2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone

C17H19N5OS — CID 125004350

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCCC[C@@H]2c2ccn3nccc3n2)cs1
InChIInChI=1S/C17H19N5OS/c1-12-19-13(11-24-12)10-17(23)21-8-3-2-4-15(21)14-6-9-22-16(20-14)5-7-18-22/h5-7,9,11,15H,2-4,8,10H2,1H3/t15-/m1/s1
InChIKeySXXPCHFGRMPNQE-OAHLLOKOSA-N
MW341.44 g/mol
LogP2.79
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone

2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone (PubChem CID 125004350) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone
PubChem CID125004350
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCCC[C@@H]2c2ccn3nccc3n2)cs1
InChIInChI=1S/C17H19N5OS/c1-12-19-13(11-24-12)10-17(23)21-8-3-2-4-15(21)14-6-9-22-16(20-14)5-7-18-22/h5-7,9,11,15H,2-4,8,10H2,1H3/t15-/m1/s1
InChIKeySXXPCHFGRMPNQE-OAHLLOKOSA-N
XLogP2.79
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 110118311
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone
CID 125003566
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95845730
2-(2-methyl-1,3-thiazol-4-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 56778842
1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95835363
1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 125026523
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 43355974
[(2S)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125024045
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 87007135
(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110118399
2-(2-fluorophenoxy)-1-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110118435
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 71928900

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone (CID 125004350) is 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone is Cc1nc(CC(=O)N2CCCC[C@@H]2c2ccn3nccc3n2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone?
The InChIKey is SXXPCHFGRMPNQE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-12-19-13(11-24-12)10-17(23)21-8-3-2-4-15(21)14-6-9-22-16(20-14)5-7-18-22/h5-7,9,11,15H,2-4,8,10H2,1H3/t15-/m1/s1.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone?
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone has a molecular weight of 341.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone is sourced from PubChem (CID 125004350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).