2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole

C18H22F3N5S — CID 133387919

IUPAC2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(C2CCCN(c3cc(N4CCCCC4)ncn3)C2)n1
InChIInChI=1S/C18H22F3N5S/c19-18(20,21)14-11-27-17(24-14)13-5-4-8-26(10-13)16-9-15(22-12-23-16)25-6-2-1-3-7-25/h9,11-13H,1-8,10H2
InChIKeyMORPDXWADHYLNT-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.33
Rot. Bonds3

About 2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133387919) has the molecular formula C18H22F3N5S and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133387919
Molecular FormulaC18H22F3N5S
Molecular Weight397.47 g/mol
Exact Mass397.15
IUPAC Name2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(C2CCCN(c3cc(N4CCCCC4)ncn3)C2)n1
InChIInChI=1S/C18H22F3N5S/c19-18(20,21)14-11-27-17(24-14)13-5-4-8-26(10-13)16-9-15(22-12-23-16)25-6-2-1-3-7-25/h9,11-13H,1-8,10H2
InChIKeyMORPDXWADHYLNT-UHFFFAOYSA-N
XLogP4.33
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 133402902
3-[(3S)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 124890258
2-tert-butyl-5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole
CID 133402896
4,5-dimethyl-2-[6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137265094
N,N-dimethyl-4-propan-2-yl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,5-triazin-2-amine
CID 133421563
6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133387898
2-[(3R)-1-(2,2-dimethoxyethyl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 99715742
5-nitro-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]benzenesulfonamide
CID 133387907
2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 124575843
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 133290557
1-phenyl-6-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137268769

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 133387919) is 2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(C2CCCN(c3cc(N4CCCCC4)ncn3)C2)n1.
What is the InChIKey of 2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is MORPDXWADHYLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5S/c19-18(20,21)14-11-27-17(24-14)13-5-4-8-26(10-13)16-9-15(22-12-23-16)25-6-2-1-3-7-25/h9,11-13H,1-8,10H2.
What are the key properties of 2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 397.47 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133387919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).