[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C14H18N4O3S2 — CID 127247379

IUPAC[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCCCC1c1[nH]ncc1S(C)(=O)=O
InChIInChI=1S/C14H18N4O3S2/c1-9-13(22-8-15-9)14(19)18-6-4-3-5-10(18)12-11(7-16-17-12)23(2,20)21/h7-8,10H,3-6H2,1-2H3,(H,16,17)
InChIKeyHIEZODJNDRXAQD-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.95
Rot. Bonds3

About [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 127247379) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID127247379
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC Name[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCCCC1c1[nH]ncc1S(C)(=O)=O
InChIInChI=1S/C14H18N4O3S2/c1-9-13(22-8-15-9)14(19)18-6-4-3-5-10(18)12-11(7-16-17-12)23(2,20)21/h7-8,10H,3-6H2,1-2H3,(H,16,17)
InChIKeyHIEZODJNDRXAQD-UHFFFAOYSA-N
XLogP1.95
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95824408
[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124968176
(5-methylpyrazin-2-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 118741502
[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 155983170
[(2R)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95848466
(3-ethyl-1,2-oxazol-5-yl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247377
[2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110110793
2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 124978760
[(2R)-2-methylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 145068291
N,N,4-trimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247824
[2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110130702
5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216039

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 127247379) is [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CCCCC1c1[nH]ncc1S(C)(=O)=O.
What is the InChIKey of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is HIEZODJNDRXAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-9-13(22-8-15-9)14(19)18-6-4-3-5-10(18)12-11(7-16-17-12)23(2,20)21/h7-8,10H,3-6H2,1-2H3,(H,16,17).
What are the key properties of [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 354.46 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 127247379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).