4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine

C17H19F3N2O2S — CID 74227912

IUPAC4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine
SMILESCc1ccsc1CN1CCOC(COc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C17H19F3N2O2S/c1-12-4-7-25-15(12)10-22-5-6-23-14(9-22)11-24-16-3-2-13(8-21-16)17(18,19)20/h2-4,7-8,14H,5-6,9-11H2,1H3
InChIKeyVFXCCBAPUCBBDV-UHFFFAOYSA-N
MW372.41 g/mol
LogP3.75
Rot. Bonds5

About 4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine

4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine (PubChem CID 74227912) has the molecular formula C17H19F3N2O2S and a molecular weight of 372.41 g/mol. Its IUPAC name is 4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine.

Molecular Properties

Compound Name4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine
PubChem CID74227912
Molecular FormulaC17H19F3N2O2S
Molecular Weight372.41 g/mol
Exact Mass372.11
IUPAC Name4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine
SMILESCc1ccsc1CN1CCOC(COc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C17H19F3N2O2S/c1-12-4-7-25-15(12)10-22-5-6-23-14(9-22)11-24-16-3-2-13(8-21-16)17(18,19)20/h2-4,7-8,14H,5-6,9-11H2,1H3
InChIKeyVFXCCBAPUCBBDV-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-methylthiophen-2-yl)methyl]-2-(pyrimidin-2-yloxymethyl)morpholine
CID 74228170
2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(3-methylthiophen-2-yl)methyl]morpholine
CID 3745600
1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone
CID 74225388
1-[3,5-difluoro-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]propan-1-one
CID 74226394
1-[3,4-dimethoxy-2-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone
CID 74224424
2-(9H-fluoren-9-yl)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]ethanone
CID 3770302
4-[(3-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 74230280
methyl 2-[[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine-4-carbonyl]amino]benzoate
CID 3446701
N-[5-chloro-2-[3-oxo-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholin-4-yl]prop-1-enyl]phenyl]acetamide
CID 4996190
4-[(5-methylfuran-2-yl)methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepane
CID 162798874
4-[2-[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844744
4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137037874

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine?
The IUPAC name of 4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine (CID 74227912) is 4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine.
What is the SMILES notation for 4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine?
The canonical SMILES for 4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine is Cc1ccsc1CN1CCOC(COc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine?
The InChIKey is VFXCCBAPUCBBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2S/c1-12-4-7-25-15(12)10-22-5-6-23-14(9-22)11-24-16-3-2-13(8-21-16)17(18,19)20/h2-4,7-8,14H,5-6,9-11H2,1H3.
What are the key properties of 4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine?
4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine has a molecular weight of 372.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine is sourced from PubChem (CID 74227912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).