N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine

C21H21F3N4S — CID 56658785

IUPACN-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
SMILESFC(F)(F)c1ccc(C(NC2CCN(c3nccs3)CC2)c2cccnc2)cc1
InChIInChI=1S/C21H21F3N4S/c22-21(23,24)17-5-3-15(4-6-17)19(16-2-1-9-25-14-16)27-18-7-11-28(12-8-18)20-26-10-13-29-20/h1-6,9-10,13-14,18-19,27H,7-8,11-12H2
InChIKeyZHSNUXZQQLLCKH-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.90
Rot. Bonds5

About N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine

N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine (PubChem CID 56658785) 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-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
PubChem CID56658785
Molecular FormulaC21H21F3N4S
Molecular Weight418.49 g/mol
Exact Mass418.14
IUPAC NameN-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
SMILESFC(F)(F)c1ccc(C(NC2CCN(c3nccs3)CC2)c2cccnc2)cc1
InChIInChI=1S/C21H21F3N4S/c22-21(23,24)17-5-3-15(4-6-17)19(16-2-1-9-25-14-16)27-18-7-11-28(12-8-18)20-26-10-13-29-20/h1-6,9-10,13-14,18-19,27H,7-8,11-12H2
InChIKeyZHSNUXZQQLLCKH-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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Frequently Asked Questions

What is the IUPAC name of N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
The IUPAC name of N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine (CID 56658785) is N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
The canonical SMILES for N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine is FC(F)(F)c1ccc(C(NC2CCN(c3nccs3)CC2)c2cccnc2)cc1.
What is the InChIKey of N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
The InChIKey is ZHSNUXZQQLLCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4S/c22-21(23,24)17-5-3-15(4-6-17)19(16-2-1-9-25-14-16)27-18-7-11-28(12-8-18)20-26-10-13-29-20/h1-6,9-10,13-14,18-19,27H,7-8,11-12H2.
What are the key properties of N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
N-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]-1-(1,3-thiazol-2-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-2-yl)piperidin-4-amine is sourced from PubChem (CID 56658785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).