4-[4-acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one

C10H9F3N2O3S — CID 126498080

IUPAC4-[4-acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one
SMILESCC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1=O
InChIInChI=1S/C10H9F3N2O3S/c1-5(16)7-8(15-2-3-18-4-6(15)17)19-9(14-7)10(11,12)13/h2-4H2,1H3
InChIKeyDYUGDKCDSCZVND-UHFFFAOYSA-N
MW294.25 g/mol
LogP1.73
Rot. Bonds2

About 4-[4-acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one

4-[4-acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one (PubChem CID 126498080) has the molecular formula C10H9F3N2O3S and a molecular weight of 294.25 g/mol. Its IUPAC name is 4-[4-acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one
PubChem CID126498080
Molecular FormulaC10H9F3N2O3S
Molecular Weight294.25 g/mol
Exact Mass294.03
IUPAC Name4-[4-acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one
SMILESCC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1=O
InChIInChI=1S/C10H9F3N2O3S/c1-5(16)7-8(15-2-3-18-4-6(15)17)19-9(14-7)10(11,12)13/h2-4H2,1H3
InChIKeyDYUGDKCDSCZVND-UHFFFAOYSA-N
XLogP1.73
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1,1-Difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
CID 126498021
1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
CID 126498075
1-[5-[(1R,6S)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
CID 126498077
N-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 126498081
1-(2-Methyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497974
1-(5-Morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497996
1-(2-Bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497997
1-(2-Cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497999
1-(2-Ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126498007
1-[2-(1-Ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
CID 126498019
1-(2-Acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126498020
1-[2-(2-Hydroxypropan-2-yl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
CID 126498040

Frequently Asked Questions

What is the IUPAC name of 4-[4-acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one?
The IUPAC name of 4-[4-acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one (CID 126498080) is 4-[4-acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one.
What is the SMILES notation for 4-[4-acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one?
The canonical SMILES for 4-[4-acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one is CC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1=O.
What is the InChIKey of 4-[4-acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one?
The InChIKey is DYUGDKCDSCZVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3S/c1-5(16)7-8(15-2-3-18-4-6(15)17)19-9(14-7)10(11,12)13/h2-4H2,1H3.
What are the key properties of 4-[4-acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one?
4-[4-acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one has a molecular weight of 294.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one is sourced from PubChem (CID 126498080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).