[(3S)-3-[2-(2,5-dihydro-1,3-thiazol-4-yl)pyrazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone

C18H19FN4OS — CID 141288580

IUPAC[(3S)-3-[2-(2,5-dihydro-1,3-thiazol-4-yl)pyrazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](c2ccnn2C2=NCSC2)C1
InChIInChI=1S/C18H19FN4OS/c19-15-5-3-13(4-6-15)18(24)22-9-1-2-14(10-22)16-7-8-21-23(16)17-11-25-12-20-17/h3-8,14H,1-2,9-12H2/t14-/m0/s1
InChIKeyMIBGPMUHDXUPSG-AWEZNQCLSA-N
MW358.44 g/mol
LogP2.99
Rot. Bonds2

About [(3S)-3-[2-(2,5-dihydro-1,3-thiazol-4-yl)pyrazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone

[(3S)-3-[2-(2,5-dihydro-1,3-thiazol-4-yl)pyrazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 141288580) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is [(3S)-3-[2-(2,5-dihydro-1,3-thiazol-4-yl)pyrazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[2-(2,5-dihydro-1,3-thiazol-4-yl)pyrazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID141288580
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC Name[(3S)-3-[2-(2,5-dihydro-1,3-thiazol-4-yl)pyrazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC[C@H](c2ccnn2C2=NCSC2)C1
InChIInChI=1S/C18H19FN4OS/c19-15-5-3-13(4-6-15)18(24)22-9-1-2-14(10-22)16-7-8-21-23(16)17-11-25-12-20-17/h3-8,14H,1-2,9-12H2/t14-/m0/s1
InChIKeyMIBGPMUHDXUPSG-AWEZNQCLSA-N
XLogP2.99
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-fluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093694
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
(4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124759378
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;sulfane
CID 160506516
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894
(4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95838773
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-(2,5-dihydro-1,3-thiazol-4-yl)pyrazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(3S)-3-[2-(2,5-dihydro-1,3-thiazol-4-yl)pyrazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone (CID 141288580) is [(3S)-3-[2-(2,5-dihydro-1,3-thiazol-4-yl)pyrazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(3S)-3-[2-(2,5-dihydro-1,3-thiazol-4-yl)pyrazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(3S)-3-[2-(2,5-dihydro-1,3-thiazol-4-yl)pyrazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCC[C@H](c2ccnn2C2=NCSC2)C1.
What is the InChIKey of [(3S)-3-[2-(2,5-dihydro-1,3-thiazol-4-yl)pyrazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is MIBGPMUHDXUPSG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19FN4OS/c19-15-5-3-13(4-6-15)18(24)22-9-1-2-14(10-22)16-7-8-21-23(16)17-11-25-12-20-17/h3-8,14H,1-2,9-12H2/t14-/m0/s1.
What are the key properties of [(3S)-3-[2-(2,5-dihydro-1,3-thiazol-4-yl)pyrazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone?
[(3S)-3-[2-(2,5-dihydro-1,3-thiazol-4-yl)pyrazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 358.44 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-(2,5-dihydro-1,3-thiazol-4-yl)pyrazol-3-yl]piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 141288580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).