[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone

C12H14N4OS — CID 124641151

IUPAC[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCCC[C@@H]1c1ccn[nH]1
InChIInChI=1S/C12H14N4OS/c17-12(11-7-13-8-18-11)16-6-2-1-3-10(16)9-4-5-14-15-9/h4-5,7-8,10H,1-3,6H2,(H,14,15)/t10-/m1/s1
InChIKeyVXOLFNZVWIHQIY-SNVBAGLBSA-N
MW262.34 g/mol
LogP2.23
Rot. Bonds2

About [(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone

[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 124641151) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is [(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID124641151
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESO=C(c1cncs1)N1CCCC[C@@H]1c1ccn[nH]1
InChIInChI=1S/C12H14N4OS/c17-12(11-7-13-8-18-11)16-6-2-1-3-10(16)9-4-5-14-15-9/h4-5,7-8,10H,1-3,6H2,(H,14,15)/t10-/m1/s1
InChIKeyVXOLFNZVWIHQIY-SNVBAGLBSA-N
XLogP2.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 123681411
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125002293
(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124944774
(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270861
1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone
CID 99801050
4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 118741468
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 110106183
tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 75817647
[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 155983170
1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175652588
(5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 167886147
N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide
CID 124985015

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone (CID 124641151) is [(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone is O=C(c1cncs1)N1CCCC[C@@H]1c1ccn[nH]1.
What is the InChIKey of [(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is VXOLFNZVWIHQIY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14N4OS/c17-12(11-7-13-8-18-11)16-6-2-1-3-10(16)9-4-5-14-15-9/h4-5,7-8,10H,1-3,6H2,(H,14,15)/t10-/m1/s1.
What are the key properties of [(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 262.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 124641151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).