N-[2-(4-chlorophenyl)phenyl]-2-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C23H21ClF3N3O3S2 — CID 59208796

IUPACN-[2-(4-chlorophenyl)phenyl]-2-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1-c1ccc(Cl)cc1)c1csc(C2CCN(S(=O)(=O)CC(F)(F)F)CC2)n1
InChIInChI=1S/C23H21ClF3N3O3S2/c24-17-7-5-15(6-8-17)18-3-1-2-4-19(18)28-21(31)20-13-34-22(29-20)16-9-11-30(12-10-16)35(32,33)14-23(25,26)27/h1-8,13,16H,9-12,14H2,(H,28,31)
InChIKeyGPVCHYYHIXZNIJ-UHFFFAOYSA-N
MW544.02 g/mol
LogP5.79
Rot. Bonds6

About N-[2-(4-chlorophenyl)phenyl]-2-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-[2-(4-chlorophenyl)phenyl]-2-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 59208796) has the molecular formula C23H21ClF3N3O3S2 and a molecular weight of 544.02 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)phenyl]-2-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)phenyl]-2-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID59208796
Molecular FormulaC23H21ClF3N3O3S2
Molecular Weight544.02 g/mol
Exact Mass543.07
IUPAC NameN-[2-(4-chlorophenyl)phenyl]-2-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1-c1ccc(Cl)cc1)c1csc(C2CCN(S(=O)(=O)CC(F)(F)F)CC2)n1
InChIInChI=1S/C23H21ClF3N3O3S2/c24-17-7-5-15(6-8-17)18-3-1-2-4-19(18)28-21(31)20-13-34-22(29-20)16-9-11-30(12-10-16)35(32,33)14-23(25,26)27/h1-8,13,16H,9-12,14H2,(H,28,31)
InChIKeyGPVCHYYHIXZNIJ-UHFFFAOYSA-N
XLogP5.79
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.02
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)phenyl]-2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209521
N-[2-(4-chlorophenyl)phenyl]-2-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 89090257
N-[2-(4-chlorophenyl)phenyl]-2-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 59209105
2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 71026014
2-[1-(4-oxohexanoyl)piperidin-4-yl]-N-[2-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 71026081
2-[1-[2-methyl-2-(methyldisulfanyl)propyl]piperidin-4-yl]-N-[2-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 89373735
N-[2-(4-chlorophenyl)phenyl]-2-[1-(3-methoxypropylcarbamothioyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 89090294
2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]-N-[2-[4-(2,2,2-trifluoroethyl)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 71026134
2-[1-[(2R)-2-hydroxy-2-methyl-3-phenylpropanoyl]piperidin-4-yl]-N-(2-phenylphenyl)-1,3-thiazole-4-carboxamide
CID 142983094
N-[2-(4-hydroxyphenyl)phenyl]-2-(1-pent-4-ynoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 142983144
2-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-N-[2-(4-methylphenyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209017
N-(2-tert-butylphenyl)-2-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 59210272

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)phenyl]-2-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)phenyl]-2-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 59208796) is N-[2-(4-chlorophenyl)phenyl]-2-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)phenyl]-2-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)phenyl]-2-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1csc(C2CCN(S(=O)(=O)CC(F)(F)F)CC2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)phenyl]-2-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is GPVCHYYHIXZNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF3N3O3S2/c24-17-7-5-15(6-8-17)18-3-1-2-4-19(18)28-21(31)20-13-34-22(29-20)16-9-11-30(12-10-16)35(32,33)14-23(25,26)27/h1-8,13,16H,9-12,14H2,(H,28,31).
What are the key properties of N-[2-(4-chlorophenyl)phenyl]-2-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-[2-(4-chlorophenyl)phenyl]-2-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 544.02 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)phenyl]-2-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59208796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).