4-[2-(3,4-difluorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine

C16H18F2N2OS — CID 136516008

IUPAC4-[2-(3,4-difluorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc(C2CN(CCc3ccc(F)c(F)c3)CCO2)n1
InChIInChI=1S/C16H18F2N2OS/c1-11-10-22-16(19-11)15-9-20(6-7-21-15)5-4-12-2-3-13(17)14(18)8-12/h2-3,8,10,15H,4-7,9H2,1H3
InChIKeyHZKWCWAOOGJNKY-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.35
Rot. Bonds4

About 4-[2-(3,4-difluorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine

4-[2-(3,4-difluorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (PubChem CID 136516008) has the molecular formula C16H18F2N2OS and a molecular weight of 324.40 g/mol. Its IUPAC name is 4-[2-(3,4-difluorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-[2-(3,4-difluorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
PubChem CID136516008
Molecular FormulaC16H18F2N2OS
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name4-[2-(3,4-difluorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc(C2CN(CCc3ccc(F)c(F)c3)CCO2)n1
InChIInChI=1S/C16H18F2N2OS/c1-11-10-22-16(19-11)15-9-20(6-7-21-15)5-4-12-2-3-13(17)14(18)8-12/h2-3,8,10,15H,4-7,9H2,1H3
InChIKeyHZKWCWAOOGJNKY-UHFFFAOYSA-N
XLogP3.35
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 100743878
(2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137666
2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine
CID 86772824
5,5-dimethyl-3-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]ethyl]imidazolidine-2,4-dione
CID 95137115
(2S)-4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95136754
(1R)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-1-phenylethanol
CID 95136891
(2R)-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137763
N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide
CID 95138708
4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 86879147
(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine
CID 129403672
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholine
CID 95138964
(2R)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95138390

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-difluorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-[2-(3,4-difluorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (CID 136516008) is 4-[2-(3,4-difluorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-[2-(3,4-difluorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-[2-(3,4-difluorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine is Cc1csc(C2CN(CCc3ccc(F)c(F)c3)CCO2)n1.
What is the InChIKey of 4-[2-(3,4-difluorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is HZKWCWAOOGJNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2OS/c1-11-10-22-16(19-11)15-9-20(6-7-21-15)5-4-12-2-3-13(17)14(18)8-12/h2-3,8,10,15H,4-7,9H2,1H3.
What are the key properties of 4-[2-(3,4-difluorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
4-[2-(3,4-difluorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 324.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-difluorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 136516008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).