(2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine

C15H15F3N2OS — CID 124615184

IUPAC(2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1ccc([C@@H]2CN(Cc3cncs3)CCO2)cc1
InChIInChI=1S/C15H15F3N2OS/c16-15(17,18)12-3-1-11(2-4-12)14-9-20(5-6-21-14)8-13-7-19-10-22-13/h1-4,7,10,14H,5-6,8-9H2/t14-/m0/s1
InChIKeySIGKZSSILSSSCO-AWEZNQCLSA-N
MW328.36 g/mol
LogP3.74
Rot. Bonds3

About (2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine

(2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine (PubChem CID 124615184) has the molecular formula C15H15F3N2OS and a molecular weight of 328.36 g/mol. Its IUPAC name is (2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name(2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine
PubChem CID124615184
Molecular FormulaC15H15F3N2OS
Molecular Weight328.36 g/mol
Exact Mass328.09
IUPAC Name(2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1ccc([C@@H]2CN(Cc3cncs3)CCO2)cc1
InChIInChI=1S/C15H15F3N2OS/c16-15(17,18)12-3-1-11(2-4-12)14-9-20(5-6-21-14)8-13-7-19-10-22-13/h1-4,7,10,14H,5-6,8-9H2/t14-/m0/s1
InChIKeySIGKZSSILSSSCO-AWEZNQCLSA-N
XLogP3.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 19960234
2-[Methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 47053353
5-[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazole
CID 59154982
5-[Phenyl(trifluoromethoxy)methyl]-1,3-thiazole
CID 69632458
(1R,2S)-3-fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine
CID 134395697
3-Fluoro-1-methoxy-1-[4-(1,3-thiazol-5-yl)phenyl]propan-2-amine
CID 142457119
2,2-difluoro-1-[(4S,5R)-4-(fluoromethyl)-2,2-dimethyl-5-[4-(1,3-thiazol-5-yl)phenyl]-1,3-oxazolidin-3-yl]ethanone
CID 150338191
(4S,5R)-3-(2,2-difluoroethyl)-4-(fluoromethyl)-2,2-dimethyl-5-[4-[2-(4-methylpentan-2-yl)-1,3-thiazol-5-yl]phenyl]-1,3-oxazolidine
CID 150570168
2-[(2-Methyl-1,3-thiazol-5-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 61281618
5-[[4-[(4-Fluorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazole
CID 75474169
5-[[4-[(2-Fluorophenyl)methoxy]piperidin-1-yl]methyl]-1,3-thiazole
CID 75500050
(1R)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 94391534

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of (2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine (CID 124615184) is (2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for (2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for (2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine is FC(F)(F)c1ccc([C@@H]2CN(Cc3cncs3)CCO2)cc1.
What is the InChIKey of (2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is SIGKZSSILSSSCO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15F3N2OS/c16-15(17,18)12-3-1-11(2-4-12)14-9-20(5-6-21-14)8-13-7-19-10-22-13/h1-4,7,10,14H,5-6,8-9H2/t14-/m0/s1.
What are the key properties of (2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine?
(2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 328.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 124615184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).