4-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine

C17H19F3N2O2S — CID 19974138

IUPAC4-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine
SMILESCOc1ccc(CCN2CCOC(c3csc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C17H19F3N2O2S/c1-23-13-4-2-12(3-5-13)6-7-22-8-9-24-15(10-22)14-11-25-16(21-14)17(18,19)20/h2-5,11,15H,6-10H2,1H3
InChIKeyLWRAGKXTIXITRN-UHFFFAOYSA-N
MW372.41 g/mol
LogP3.79
Rot. Bonds5

About 4-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine

4-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine (PubChem CID 19974138) has the molecular formula C17H19F3N2O2S and a molecular weight of 372.41 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine
PubChem CID19974138
Molecular FormulaC17H19F3N2O2S
Molecular Weight372.41 g/mol
Exact Mass372.11
IUPAC Name4-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine
SMILESCOc1ccc(CCN2CCOC(c3csc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C17H19F3N2O2S/c1-23-13-4-2-12(3-5-13)6-7-22-8-9-24-15(10-22)14-11-25-16(21-14)17(18,19)20/h2-5,11,15H,6-10H2,1H3
InChIKeyLWRAGKXTIXITRN-UHFFFAOYSA-N
XLogP3.79
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-thiazole
CID 10708509
N-butyl-N-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]ethyl]butan-1-amine;hydrochloride
CID 14146318
[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](morpholino)methanone
CID 1472612
[1-[(4-Isopropyl-1,3-thiazol-2-yl)methyl]-4-(4-methoxybenzyl)piperidin-4-yl]methanol
CID 16189086
(4-methoxyphenyl)-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazol-2-yl]methanol
CID 46943951
2-Methyl-4-[[4-(3-piperidin-4-ylphenyl)phenoxy]methyl]-1,3-thiazole
CID 137635903
[4-[4-(Difluoromethoxy)phenyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
CID 2742539
4-(2-Fluorophenoxy)-1-[2-(2-methyl-1,3-thiazol-4-YL)ethyl]piperidine
CID 28077618
1-(4-methylmorpholin-2-yl)-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]methanamine
CID 53581887
1-(4-methylmorpholin-2-yl)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]methanamine
CID 53608704
1-(4-isopropyl-1,3-thiazol-2-yl)-N-({1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl}methyl)-N-methylmethanamine
CID 28359792
2-(4-Ethoxyphenyl)-4-(piperidin-1-ylmethyl)-1,3-thiazole
CID 7998816

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine?
The IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine (CID 19974138) is 4-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine?
The canonical SMILES for 4-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine is COc1ccc(CCN2CCOC(c3csc(C(F)(F)F)n3)C2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine?
The InChIKey is LWRAGKXTIXITRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2S/c1-23-13-4-2-12(3-5-13)6-7-22-8-9-24-15(10-22)14-11-25-16(21-14)17(18,19)20/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 4-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine?
4-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine has a molecular weight of 372.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]morpholine is sourced from PubChem (CID 19974138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).