4-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine

C13H18F3N3OS — CID 86801716

IUPAC4-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine
SMILESFC(F)(F)c1csc(N2CCCC2CN2CCOCC2)n1
InChIInChI=1S/C13H18F3N3OS/c14-13(15,16)11-9-21-12(17-11)19-3-1-2-10(19)8-18-4-6-20-7-5-18/h9-10H,1-8H2
InChIKeyXOEUVBYIKIIECD-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.46
Rot. Bonds3

About 4-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine

4-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine (PubChem CID 86801716) has the molecular formula C13H18F3N3OS and a molecular weight of 321.37 g/mol. Its IUPAC name is 4-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine
PubChem CID86801716
Molecular FormulaC13H18F3N3OS
Molecular Weight321.37 g/mol
Exact Mass321.11
IUPAC Name4-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine
SMILESFC(F)(F)c1csc(N2CCCC2CN2CCOCC2)n1
InChIInChI=1S/C13H18F3N3OS/c14-13(15,16)11-9-21-12(17-11)19-3-1-2-10(19)8-18-4-6-20-7-5-18/h9-10H,1-8H2
InChIKeyXOEUVBYIKIIECD-UHFFFAOYSA-N
XLogP2.46
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methyl]morpholine
CID 133321690
4-[[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methyl]morpholine
CID 99714284
2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,2-oxazolidine
CID 75504409
N-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133366070
2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 133365893
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine
CID 69066579
4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine
CID 99714262
2-[2-(chloromethyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole
CID 63390030
6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 133383794
1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039074
4-[[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]methyl]morpholine
CID 133309507
2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 133396170

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine (CID 86801716) is 4-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine is FC(F)(F)c1csc(N2CCCC2CN2CCOCC2)n1.
What is the InChIKey of 4-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine?
The InChIKey is XOEUVBYIKIIECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3OS/c14-13(15,16)11-9-21-12(17-11)19-3-1-2-10(19)8-18-4-6-20-7-5-18/h9-10H,1-8H2.
What are the key properties of 4-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine?
4-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine has a molecular weight of 321.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine is sourced from PubChem (CID 86801716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).