1-pyrimidin-2-yl-N-[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

C20H20F3N5S — CID 56662135

IUPAC1-pyrimidin-2-yl-N-[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(C(NC2CCN(c3ncccn3)CC2)c2cncs2)cc1
InChIInChI=1S/C20H20F3N5S/c21-20(22,23)15-4-2-14(3-5-15)18(17-12-24-13-29-17)27-16-6-10-28(11-7-16)19-25-8-1-9-26-19/h1-5,8-9,12-13,16,18,27H,6-7,10-11H2
InChIKeyFCRWADQLVIZBND-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.30
Rot. Bonds5

About 1-pyrimidin-2-yl-N-[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

1-pyrimidin-2-yl-N-[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 56662135) has the molecular formula C20H20F3N5S and a molecular weight of 419.48 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-N-[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-pyrimidin-2-yl-N-[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
PubChem CID56662135
Molecular FormulaC20H20F3N5S
Molecular Weight419.48 g/mol
Exact Mass419.14
IUPAC Name1-pyrimidin-2-yl-N-[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESFC(F)(F)c1ccc(C(NC2CCN(c3ncccn3)CC2)c2cncs2)cc1
InChIInChI=1S/C20H20F3N5S/c21-20(22,23)15-4-2-14(3-5-15)18(17-12-24-13-29-17)27-16-6-10-28(11-7-16)19-25-8-1-9-26-19/h1-5,8-9,12-13,16,18,27H,6-7,10-11H2
InChIKeyFCRWADQLVIZBND-UHFFFAOYSA-N
XLogP4.30
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-N-[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-pyrimidin-2-yl-N-[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 56662135) is 1-pyrimidin-2-yl-N-[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-pyrimidin-2-yl-N-[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-pyrimidin-2-yl-N-[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is FC(F)(F)c1ccc(C(NC2CCN(c3ncccn3)CC2)c2cncs2)cc1.
What is the InChIKey of 1-pyrimidin-2-yl-N-[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is FCRWADQLVIZBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5S/c21-20(22,23)15-4-2-14(3-5-15)18(17-12-24-13-29-17)27-16-6-10-28(11-7-16)19-25-8-1-9-26-19/h1-5,8-9,12-13,16,18,27H,6-7,10-11H2.
What are the key properties of 1-pyrimidin-2-yl-N-[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
1-pyrimidin-2-yl-N-[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 419.48 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-yl-N-[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 56662135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).