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

C13H18F3N3OS — CID 99714313

IUPAC4-[[(2R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine
SMILESFC(F)(F)c1csc(N2CCC[C@@H]2CN2CCOCC2)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/t10-/m1/s1
InChIKeyXOEUVBYIKIIECD-SNVBAGLBSA-N
MW321.37 g/mol
LogP2.46
Rot. Bonds3

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

4-[[(2R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine (PubChem CID 99714313) has the molecular formula C13H18F3N3OS and a molecular weight of 321.37 g/mol. Its IUPAC name is 4-[[(2R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(2R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine
PubChem CID99714313
Molecular FormulaC13H18F3N3OS
Molecular Weight321.37 g/mol
Exact Mass321.11
IUPAC Name4-[[(2R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine
SMILESFC(F)(F)c1csc(N2CCC[C@@H]2CN2CCOCC2)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/t10-/m1/s1
InChIKeyXOEUVBYIKIIECD-SNVBAGLBSA-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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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[(2R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine (CID 99714313) is 4-[[(2R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(2R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[(2R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine is FC(F)(F)c1csc(N2CCC[C@@H]2CN2CCOCC2)n1.
What is the InChIKey of 4-[[(2R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine?
The InChIKey is XOEUVBYIKIIECD-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of 4-[[(2R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine?
4-[[(2R)-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-[[(2R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]methyl]morpholine is sourced from PubChem (CID 99714313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).