N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-5-yl)piperidin-4-amine

C21H21F3N4S — CID 56669184

IUPACN-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-5-yl)piperidin-4-amine
SMILESFC(F)(F)c1ccc(C(NC2CCN(c3cncs3)CC2)c2cccnc2)cc1
InChIInChI=1S/C21H21F3N4S/c22-21(23,24)17-5-3-15(4-6-17)20(16-2-1-9-25-12-16)27-18-7-10-28(11-8-18)19-13-26-14-29-19/h1-6,9,12-14,18,20,27H,7-8,10-11H2
InChIKeyGBOJIOBZHIDHJJ-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.90
Rot. Bonds5

About N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-5-yl)piperidin-4-amine

N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-5-yl)piperidin-4-amine (PubChem CID 56669184) has the molecular formula C21H21F3N4S and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-5-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-5-yl)piperidin-4-amine
PubChem CID56669184
Molecular FormulaC21H21F3N4S
Molecular Weight418.49 g/mol
Exact Mass418.14
IUPAC NameN-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-5-yl)piperidin-4-amine
SMILESFC(F)(F)c1ccc(C(NC2CCN(c3cncs3)CC2)c2cccnc2)cc1
InChIInChI=1S/C21H21F3N4S/c22-21(23,24)17-5-3-15(4-6-17)20(16-2-1-9-25-12-16)27-18-7-10-28(11-8-18)19-13-26-14-29-19/h1-6,9,12-14,18,20,27H,7-8,10-11H2
InChIKeyGBOJIOBZHIDHJJ-UHFFFAOYSA-N
XLogP4.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-N1-(2-(isoquinolin-6-yl)thiazol-5-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 46880292
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
CID 146293651
2-Fluoro-5-[(4S,5S)-4-(4-fluorophenyl)-5-methyl-2-(1,3-thiazol-2-yl)-4,5-dihydro-1H-imidazol-4-yl]pyridine
CID 44139603
US9802918, Example 69
CID 124089555
N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 56658785
1-pyrimidin-2-yl-N-[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 56662135
[4-[[Pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 56662426
1-(5-methyl-1,3-thiazol-2-yl)-N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 56662430
[4-[[Pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone
CID 56665589
2-[4-[Pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole
CID 56669056
N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-1,3-thiazole-2-carboxamide
CID 56682771
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 76311344

Frequently Asked Questions

What is the IUPAC name of N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-5-yl)piperidin-4-amine?
The IUPAC name of N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-5-yl)piperidin-4-amine (CID 56669184) is N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-5-yl)piperidin-4-amine.
What is the SMILES notation for N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-5-yl)piperidin-4-amine?
The canonical SMILES for N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-5-yl)piperidin-4-amine is FC(F)(F)c1ccc(C(NC2CCN(c3cncs3)CC2)c2cccnc2)cc1.
What is the InChIKey of N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-5-yl)piperidin-4-amine?
The InChIKey is GBOJIOBZHIDHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4S/c22-21(23,24)17-5-3-15(4-6-17)20(16-2-1-9-25-12-16)27-18-7-10-28(11-8-18)19-13-26-14-29-19/h1-6,9,12-14,18,20,27H,7-8,10-11H2.
What are the key properties of N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-5-yl)piperidin-4-amine?
N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-5-yl)piperidin-4-amine has a molecular weight of 418.49 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-5-yl)piperidin-4-amine is sourced from PubChem (CID 56669184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).