2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-fluoropyridazin-3-yl)oxymethyl]piperidin-1-yl]ethanamine

C16H20F3N5OS — CID 164530260

IUPAC2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-fluoropyridazin-3-yl)oxymethyl]piperidin-1-yl]ethanamine
SMILESNCC(c1scnc1C(F)F)N1CCC(COc2ccc(F)nn2)CC1
InChIInChI=1S/C16H20F3N5OS/c17-12-1-2-13(23-22-12)25-8-10-3-5-24(6-4-10)11(7-20)15-14(16(18)19)21-9-26-15/h1-2,9-11,16H,3-8,20H2
InChIKeyYNJCYYOBBYVTPC-UHFFFAOYSA-N
MW387.43 g/mol
LogP2.80
Rot. Bonds7

About 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-fluoropyridazin-3-yl)oxymethyl]piperidin-1-yl]ethanamine

2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-fluoropyridazin-3-yl)oxymethyl]piperidin-1-yl]ethanamine (PubChem CID 164530260) has the molecular formula C16H20F3N5OS and a molecular weight of 387.43 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-fluoropyridazin-3-yl)oxymethyl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-fluoropyridazin-3-yl)oxymethyl]piperidin-1-yl]ethanamine
PubChem CID164530260
Molecular FormulaC16H20F3N5OS
Molecular Weight387.43 g/mol
Exact Mass387.13
IUPAC Name2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-fluoropyridazin-3-yl)oxymethyl]piperidin-1-yl]ethanamine
SMILESNCC(c1scnc1C(F)F)N1CCC(COc2ccc(F)nn2)CC1
InChIInChI=1S/C16H20F3N5OS/c17-12-1-2-13(23-22-12)25-8-10-3-5-24(6-4-10)11(7-20)15-14(16(18)19)21-9-26-15/h1-2,9-11,16H,3-8,20H2
InChIKeyYNJCYYOBBYVTPC-UHFFFAOYSA-N
XLogP2.80
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-(pyrazolo[1,5-a]pyrimidin-5-yloxymethyl)piperidin-1-yl]ethanamine
CID 164530310
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
(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
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-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 134314418
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
N-[(E)-1-[[1-[2-[(2-chloro-6-fluorobenzoyl)amino]-1-[4-(difluoromethyl)-1,3-thiazol-5-yl]ethyl]piperidin-4-yl]methoxy]-2-(methylideneamino)ethenyl]ethanimidoyl fluoride
CID 174013635
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
2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine
CID 118297265

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-fluoropyridazin-3-yl)oxymethyl]piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-fluoropyridazin-3-yl)oxymethyl]piperidin-1-yl]ethanamine (CID 164530260) is 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-fluoropyridazin-3-yl)oxymethyl]piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-fluoropyridazin-3-yl)oxymethyl]piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-fluoropyridazin-3-yl)oxymethyl]piperidin-1-yl]ethanamine is NCC(c1scnc1C(F)F)N1CCC(COc2ccc(F)nn2)CC1.
What is the InChIKey of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-fluoropyridazin-3-yl)oxymethyl]piperidin-1-yl]ethanamine?
The InChIKey is YNJCYYOBBYVTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5OS/c17-12-1-2-13(23-22-12)25-8-10-3-5-24(6-4-10)11(7-20)15-14(16(18)19)21-9-26-15/h1-2,9-11,16H,3-8,20H2.
What are the key properties of 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-fluoropyridazin-3-yl)oxymethyl]piperidin-1-yl]ethanamine?
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-fluoropyridazin-3-yl)oxymethyl]piperidin-1-yl]ethanamine has a molecular weight of 387.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-fluoropyridazin-3-yl)oxymethyl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 164530260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).