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

C24H22F3N3O2S — CID 121349399

IUPAC4-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCC(=O)c1sc(C2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc1-c1ccccc1
InChIInChI=1S/C24H22F3N3O2S/c1-15(31)21-20(16-5-3-2-4-6-16)29-22(33-21)17-11-13-30(14-12-17)23(32)28-19-9-7-18(8-10-19)24(25,26)27/h2-10,17H,11-14H2,1H3,(H,28,32)
InChIKeyQSQQRQVDEYWRBO-UHFFFAOYSA-N
MW473.52 g/mol
LogP6.44
Rot. Bonds4

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

4-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 121349399) has the molecular formula C24H22F3N3O2S and a molecular weight of 473.52 g/mol. Its IUPAC name is 4-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID121349399
Molecular FormulaC24H22F3N3O2S
Molecular Weight473.52 g/mol
Exact Mass473.14
IUPAC Name4-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCC(=O)c1sc(C2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc1-c1ccccc1
InChIInChI=1S/C24H22F3N3O2S/c1-15(31)21-20(16-5-3-2-4-6-16)29-22(33-21)17-11-13-30(14-12-17)23(32)28-19-9-7-18(8-10-19)24(25,26)27/h2-10,17H,11-14H2,1H3,(H,28,32)
InChIKeyQSQQRQVDEYWRBO-UHFFFAOYSA-N
XLogP6.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.52
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-isocyano-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 140718337
ethyl 4-(4-phenoxyphenyl)-2-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-1,3-thiazole-5-carboxylate
CID 130434240
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-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-hydroxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121349369
2-(4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 175374032
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4183406
4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 3703846
ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate
CID 135126252
4-phthalazin-1-yloxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90560454
4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
CID 27869090
4-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113111996

Frequently Asked Questions

What is the IUPAC name of 4-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 121349399) is 4-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is CC(=O)c1sc(C2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc1-c1ccccc1.
What is the InChIKey of 4-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is QSQQRQVDEYWRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2S/c1-15(31)21-20(16-5-3-2-4-6-16)29-22(33-21)17-11-13-30(14-12-17)23(32)28-19-9-7-18(8-10-19)24(25,26)27/h2-10,17H,11-14H2,1H3,(H,28,32).
What are the key properties of 4-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 473.52 g/mol, XLogP of 6.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 121349399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).