2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)piperidin-1-yl]ethanamine

C18H22F2N6OS — CID 164530310

IUPAC2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)piperidin-1-yl]ethanamine
SMILESNCC(c1scnc1C(F)F)N1CCC(COc2ccn3nccc3n2)CC1
InChIInChI=1S/C18H22F2N6OS/c19-18(20)16-17(28-11-22-16)13(9-21)25-6-2-12(3-7-25)10-27-15-4-8-26-14(24-15)1-5-23-26/h1,4-5,8,11-13,18H,2-3,6-7,9-10,21H2
InChIKeyFBZIELHLFGXSQE-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.91
Rot. Bonds7

About 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)piperidin-1-yl]ethanamine

2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)piperidin-1-yl]ethanamine (PubChem CID 164530310) has the molecular formula C18H22F2N6OS and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)piperidin-1-yl]ethanamine
PubChem CID164530310
Molecular FormulaC18H22F2N6OS
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)piperidin-1-yl]ethanamine
SMILESNCC(c1scnc1C(F)F)N1CCC(COc2ccn3nccc3n2)CC1
InChIInChI=1S/C18H22F2N6OS/c19-18(20)16-17(28-11-22-16)13(9-21)25-6-2-12(3-7-25)10-27-15-4-8-26-14(24-15)1-5-23-26/h1,4-5,8,11-13,18H,2-3,6-7,9-10,21H2
InChIKeyFBZIELHLFGXSQE-UHFFFAOYSA-N
XLogP2.91
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-fluoropyridazin-3-yl)oxymethyl]piperidin-1-yl]ethanamine
CID 164530260
(2E,4E)-4-[[1-[2-amino-1-[4-(difluoromethyl)-1,3-thiazol-5-yl]ethyl]piperidin-4-yl]methoxy]-2-methyl-5-(methylideneamino)penta-2,4-dienenitrile
CID 167120422
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine
CID 164530257
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(2E,4E)-2-fluorohepta-2,4-dien-4-yl]oxypiperidin-1-yl]ethanamine
CID 142296710
5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 171704384
N-[(Z)-1-[[1-[1-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-nitrosoethyl]piperidin-4-yl]methoxy]-2-fluoro-2-(methylideneamino)ethenyl]ethanimine
CID 174013628
2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]ethyl]-6-fluorobenzamide
CID 164517874
2-chloro-N-[2-[4-[(3-cyanopyrazin-2-yl)oxymethyl]piperidin-1-yl]-2-[4-(difluoromethyl)-1,3-thiazol-5-yl]ethyl]-6-fluorobenzamide
CID 164517861
2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 134314418
2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine
CID 118297265
2-chloro-N-[2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-([1,2,4]triazolo[4,3-a]pyrazin-5-yloxymethyl)piperidin-1-yl]ethyl]-6-fluorobenzamide
CID 164517794
2-[4-(methoxymethyl)piperidin-1-yl]-2-(3-methylthiophen-2-yl)ethanamine
CID 63972078

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)piperidin-1-yl]ethanamine (CID 164530310) is 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)piperidin-1-yl]ethanamine is NCC(c1scnc1C(F)F)N1CCC(COc2ccn3nccc3n2)CC1.
What is the InChIKey of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)piperidin-1-yl]ethanamine?
The InChIKey is FBZIELHLFGXSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N6OS/c19-18(20)16-17(28-11-22-16)13(9-21)25-6-2-12(3-7-25)10-27-15-4-8-26-14(24-15)1-5-23-26/h1,4-5,8,11-13,18H,2-3,6-7,9-10,21H2.
What are the key properties of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)piperidin-1-yl]ethanamine?
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)piperidin-1-yl]ethanamine has a molecular weight of 408.48 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 164530310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).