4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-hydroxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C24H24F3N3O2S — CID 121349369

IUPAC4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-hydroxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCCc1sc(C2(O)CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc1-c1ccccc1
InChIInChI=1S/C24H24F3N3O2S/c1-2-19-20(16-6-4-3-5-7-16)29-21(33-19)23(32)12-14-30(15-13-23)22(31)28-18-10-8-17(9-11-18)24(25,26)27/h3-11,32H,2,12-15H2,1H3,(H,28,31)
InChIKeyOYLUTEQORGCMMG-UHFFFAOYSA-N
MW475.54 g/mol
LogP5.91
Rot. Bonds4

About 4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-hydroxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-hydroxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 121349369) has the molecular formula C24H24F3N3O2S and a molecular weight of 475.54 g/mol. Its IUPAC name is 4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-hydroxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-hydroxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID121349369
Molecular FormulaC24H24F3N3O2S
Molecular Weight475.54 g/mol
Exact Mass475.15
IUPAC Name4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-hydroxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCCc1sc(C2(O)CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc1-c1ccccc1
InChIInChI=1S/C24H24F3N3O2S/c1-2-19-20(16-6-4-3-5-7-16)29-21(33-19)23(32)12-14-30(15-13-23)22(31)28-18-10-8-17(9-11-18)24(25,26)27/h3-11,32H,2,12-15H2,1H3,(H,28,31)
InChIKeyOYLUTEQORGCMMG-UHFFFAOYSA-N
XLogP5.91
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.54
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 130434235
4-fluoro-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121349382
4-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121349399
4-(5-isocyano-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 140718337
4-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113111996
ethyl 4-(4-phenoxyphenyl)-2-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-1,3-thiazole-5-carboxylate
CID 130434240
4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 3703846
4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11349537
N-(4-ethylphenyl)-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3391002
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
4-[(2S)-2-hydroxybutyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 97025685
4-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113104985

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-hydroxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-hydroxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 121349369) is 4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-hydroxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-hydroxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-hydroxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is CCc1sc(C2(O)CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc1-c1ccccc1.
What is the InChIKey of 4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-hydroxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is OYLUTEQORGCMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2S/c1-2-19-20(16-6-4-3-5-7-16)29-21(33-19)23(32)12-14-30(15-13-23)22(31)28-18-10-8-17(9-11-18)24(25,26)27/h3-11,32H,2,12-15H2,1H3,(H,28,31).
What are the key properties of 4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-hydroxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-hydroxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 475.54 g/mol, XLogP of 5.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-hydroxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 121349369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).