2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole

C12H16N4S — CID 124641351

IUPAC2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1cc([C@H]2CCCCN2Cc2nccs2)[nH]n1
InChIInChI=1S/C12H16N4S/c1-2-7-16(9-12-13-6-8-17-12)11(3-1)10-4-5-14-15-10/h4-6,8,11H,1-3,7,9H2,(H,14,15)/t11-/m1/s1
InChIKeyMAUYNLKXVXBPSM-LLVKDONJSA-N
MW248.35 g/mol
LogP2.59
Rot. Bonds3

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

2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 124641351) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID124641351
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1cc([C@H]2CCCCN2Cc2nccs2)[nH]n1
InChIInChI=1S/C12H16N4S/c1-2-7-16(9-12-13-6-8-17-12)11(3-1)10-4-5-14-15-10/h4-6,8,11H,1-3,7,9H2,(H,14,15)/t11-/m1/s1
InChIKeyMAUYNLKXVXBPSM-LLVKDONJSA-N
XLogP2.59
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 77081994
2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine
CID 124993082
2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99947605
2-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 95841214
1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 73439904
1-(2-methylpropyl)-2-(1H-pyrazol-5-yl)piperidine
CID 110106146
2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124754983
2-[(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 110118108
5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole
CID 110258107
2-[[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124962159
1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole
CID 95730740
2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 124992115

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 124641351) is 2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole is c1cc([C@H]2CCCCN2Cc2nccs2)[nH]n1.
What is the InChIKey of 2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is MAUYNLKXVXBPSM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N4S/c1-2-7-16(9-12-13-6-8-17-12)11(3-1)10-4-5-14-15-10/h4-6,8,11H,1-3,7,9H2,(H,14,15)/t11-/m1/s1.
What are the key properties of 2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 248.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 124641351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).