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

C18H20F3N3OS — CID 146078617

IUPAC2-phenyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C18H20F3N3OS/c19-18(20,21)12-24-8-6-13(7-9-24)10-22-16(25)15-11-26-17(23-15)14-4-2-1-3-5-14/h1-5,11,13H,6-10,12H2,(H,22,25)
InChIKeyIGQKFMWAWLQYIG-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.81
Rot. Bonds5

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

2-phenyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 146078617) has the molecular formula C18H20F3N3OS and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-phenyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID146078617
Molecular FormulaC18H20F3N3OS
Molecular Weight383.44 g/mol
Exact Mass383.13
IUPAC Name2-phenyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C18H20F3N3OS/c19-18(20,21)12-24-8-6-13(7-9-24)10-22-16(25)15-11-26-17(23-15)14-4-2-1-3-5-14/h1-5,11,13H,6-10,12H2,(H,22,25)
InChIKeyIGQKFMWAWLQYIG-UHFFFAOYSA-N
XLogP3.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 18105647
[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 119546686
2-(1-methylpyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 51101862
2-(2,4-difluorophenyl)-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 169172884
2-(2-aminoethyl)-N-[(1-benzylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120645364
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120947898
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 63048022
3-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 99827620
N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 165422149
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18157145

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide (CID 146078617) is 2-phenyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCC1CCN(CC(F)(F)F)CC1)c1csc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IGQKFMWAWLQYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3OS/c19-18(20,21)12-24-8-6-13(7-9-24)10-22-16(25)15-11-26-17(23-15)14-4-2-1-3-5-14/h1-5,11,13H,6-10,12H2,(H,22,25).
What are the key properties of 2-phenyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide?
2-phenyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 383.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 146078617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).