2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone

C9H9F3N2O2S — CID 59437219

IUPAC2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone
SMILESO=C(c1cnc(N2CCOCC2)s1)C(F)(F)F
InChIInChI=1S/C9H9F3N2O2S/c10-9(11,12)7(15)6-5-13-8(17-6)14-1-3-16-4-2-14/h5H,1-4H2
InChIKeyXCEBVOUTPJWMIB-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.72
Rot. Bonds2

About 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone

2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 59437219) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone
PubChem CID59437219
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC Name2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone
SMILESO=C(c1cnc(N2CCOCC2)s1)C(F)(F)F
InChIInChI=1S/C9H9F3N2O2S/c10-9(11,12)7(15)6-5-13-8(17-6)14-1-3-16-4-2-14/h5H,1-4H2
InChIKeyXCEBVOUTPJWMIB-UHFFFAOYSA-N
XLogP1.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone (CID 59437219) is 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone is O=C(c1cnc(N2CCOCC2)s1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is XCEBVOUTPJWMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c10-9(11,12)7(15)6-5-13-8(17-6)14-1-3-16-4-2-14/h5H,1-4H2.
What are the key properties of 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone?
2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 266.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 59437219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).