[(3R)-3-(4-fluorophenyl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone

C23H20F4N2OS — CID 141089609

IUPAC[(3R)-3-(4-fluorophenyl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCC[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C23H20F4N2OS/c1-14-20(31-21(28-14)16-4-8-18(9-5-16)23(25,26)27)22(30)29-12-2-3-17(13-29)15-6-10-19(24)11-7-15/h4-11,17H,2-3,12-13H2,1H3/t17-/m0/s1
InChIKeyADZFVHCUONEYBB-KRWDZBQOSA-N
MW448.49 g/mol
LogP6.30
Rot. Bonds3

About [(3R)-3-(4-fluorophenyl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone

[(3R)-3-(4-fluorophenyl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone (PubChem CID 141089609) has the molecular formula C23H20F4N2OS and a molecular weight of 448.49 g/mol. Its IUPAC name is [(3R)-3-(4-fluorophenyl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(4-fluorophenyl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone
PubChem CID141089609
Molecular FormulaC23H20F4N2OS
Molecular Weight448.49 g/mol
Exact Mass448.12
IUPAC Name[(3R)-3-(4-fluorophenyl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCC[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C23H20F4N2OS/c1-14-20(31-21(28-14)16-4-8-18(9-5-16)23(25,26)27)22(30)29-12-2-3-17(13-29)15-6-10-19(24)11-7-15/h4-11,17H,2-3,12-13H2,1H3/t17-/m0/s1
InChIKeyADZFVHCUONEYBB-KRWDZBQOSA-N
XLogP6.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-methylphenyl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone;hydrate
CID 174491294
2-methyl-5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide
CID 10390743
2-methyl-2-[2-methyl-5-[(3S)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]phenoxy]propanoic acid
CID 10392682
(4-cyclopentylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338746
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1-piperidin-1-ylpropan-1-one
CID 53031125
(4-methylpiperazin-1-yl)-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-4-yl]methanone
CID 55702466
(2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1-piperidin-1-ylpropan-1-one
CID 93061147
[(4aS,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 96564131
[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31700706
(2R)-1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide
CID 39309690
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 24537550
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 120658164

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-fluorophenyl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone?
The IUPAC name of [(3R)-3-(4-fluorophenyl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone (CID 141089609) is [(3R)-3-(4-fluorophenyl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [(3R)-3-(4-fluorophenyl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [(3R)-3-(4-fluorophenyl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCC[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of [(3R)-3-(4-fluorophenyl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone?
The InChIKey is ADZFVHCUONEYBB-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H20F4N2OS/c1-14-20(31-21(28-14)16-4-8-18(9-5-16)23(25,26)27)22(30)29-12-2-3-17(13-29)15-6-10-19(24)11-7-15/h4-11,17H,2-3,12-13H2,1H3/t17-/m0/s1.
What are the key properties of [(3R)-3-(4-fluorophenyl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone?
[(3R)-3-(4-fluorophenyl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone has a molecular weight of 448.49 g/mol, XLogP of 6.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-fluorophenyl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 141089609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).