1-[2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone

C11H14F2N2O2S — CID 126498021

IUPAC1-[2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(C(C)(F)F)sc1N1CCOCC1
InChIInChI=1S/C11H14F2N2O2S/c1-7(16)8-9(15-3-5-17-6-4-15)18-10(14-8)11(2,12)13/h3-6H2,1-2H3
InChIKeySYJPSDUTSDIWMA-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.29
Rot. Bonds3

About 1-[2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone

1-[2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone (PubChem CID 126498021) has the molecular formula C11H14F2N2O2S and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
PubChem CID126498021
Molecular FormulaC11H14F2N2O2S
Molecular Weight276.31 g/mol
Exact Mass276.07
IUPAC Name1-[2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(C(C)(F)F)sc1N1CCOCC1
InChIInChI=1S/C11H14F2N2O2S/c1-7(16)8-9(15-3-5-17-6-4-15)18-10(14-8)11(2,12)13/h3-6H2,1-2H3
InChIKeySYJPSDUTSDIWMA-UHFFFAOYSA-N
XLogP2.29
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126498020
ethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
CID 134461219
4-[4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholine
CID 135210351
4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 62764238
1-(6-cyclopropyl-3-morpholin-4-yl-2-pyridinyl)ethanone
CID 126497984
5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid
CID 154878988
ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 142553274
(E)-3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)prop-2-enoic acid
CID 82439737
1-[4-morpholin-4-yl-2-(trifluoromethyl)quinazolin-6-yl]ethanone
CID 67105711
3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82439738
10-morpholin-4-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine;bis(2,2,2-trifluoroacetic acid)
CID 57327026
1-(5-morpholin-4-yl-4-nitrothiophen-2-yl)ethanone
CID 2820095

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone (CID 126498021) is 1-[2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone is CC(=O)c1nc(C(C)(F)F)sc1N1CCOCC1.
What is the InChIKey of 1-[2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone?
The InChIKey is SYJPSDUTSDIWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2S/c1-7(16)8-9(15-3-5-17-6-4-15)18-10(14-8)11(2,12)13/h3-6H2,1-2H3.
What are the key properties of 1-[2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone?
1-[2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone has a molecular weight of 276.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 126498021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).