2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone

C15H17F2N3O2S — CID 86796926

IUPAC2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
SMILESO=C(CC1COCCN1Cc1nccn1C(F)F)c1cccs1
InChIInChI=1S/C15H17F2N3O2S/c16-15(17)20-4-3-18-14(20)9-19-5-6-22-10-11(19)8-12(21)13-2-1-7-23-13/h1-4,7,11,15H,5-6,8-10H2
InChIKeyGYSWQZUVEHCEOP-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.81
Rot. Bonds6

About 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone

2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone (PubChem CID 86796926) has the molecular formula C15H17F2N3O2S and a molecular weight of 341.38 g/mol. Its IUPAC name is 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
PubChem CID86796926
Molecular FormulaC15H17F2N3O2S
Molecular Weight341.38 g/mol
Exact Mass341.10
IUPAC Name2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
SMILESO=C(CC1COCCN1Cc1nccn1C(F)F)c1cccs1
InChIInChI=1S/C15H17F2N3O2S/c16-15(17)20-4-3-18-14(20)9-19-5-6-22-10-11(19)8-12(21)13-2-1-7-23-13/h1-4,7,11,15H,5-6,8-10H2
InChIKeyGYSWQZUVEHCEOP-UHFFFAOYSA-N
XLogP2.81
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone with MolForge

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Related Compounds

2-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 86817699
1-thiophen-2-yl-2-[4-(trimethylsilylmethyl)morpholin-3-yl]ethanone
CID 75478811
2-[(3S)-4-[[4-(hydroxymethyl)phenyl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99578863
2-[(3R)-4-(3-hydroxypropyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99579369
2-[4-[(2,6-dimethyl-3-pyridinyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 119034502
2-[(3R)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99699245
2-[4-[[3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]methyl]phenyl]acetonitrile
CID 119034501
2-[(3S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99699244
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 86803507
2-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-N-phenylacetamide
CID 99699219
1-phenyl-2-[4-(1,3-thiazol-2-ylmethyl)morpholin-3-yl]ethanone
CID 86796786
2-(3-methylmorpholin-4-yl)-1-thiophen-2-ylethanone
CID 43796416

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone (CID 86796926) is 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone is O=C(CC1COCCN1Cc1nccn1C(F)F)c1cccs1.
What is the InChIKey of 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone?
The InChIKey is GYSWQZUVEHCEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2S/c16-15(17)20-4-3-18-14(20)9-19-5-6-22-10-11(19)8-12(21)13-2-1-7-23-13/h1-4,7,11,15H,5-6,8-10H2.
What are the key properties of 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone?
2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone has a molecular weight of 341.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-3-yl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 86796926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).