(4-ethylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C11H13F3N2O2S — CID 106782579

IUPAC(4-ethylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCCN1CCOC(C(=O)c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C11H13F3N2O2S/c1-2-16-3-4-18-7(6-16)9(17)8-5-15-10(19-8)11(12,13)14/h5,7H,2-4,6H2,1H3
InChIKeyCAMLNWNMEYWZLW-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.07
Rot. Bonds3

About (4-ethylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

(4-ethylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782579) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is (4-ethylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-ethylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782579
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name(4-ethylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCCN1CCOC(C(=O)c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C11H13F3N2O2S/c1-2-16-3-4-18-7(6-16)9(17)8-5-15-10(19-8)11(12,13)14/h5,7H,2-4,6H2,1H3
InChIKeyCAMLNWNMEYWZLW-UHFFFAOYSA-N
XLogP2.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane
CID 142920659
2-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782452
2-Propoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782460
2-Ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782500
Oxolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782517
2-Ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782538
2-Methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782555
2-Methyl-2-morpholin-4-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782561
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782573
2-Methoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782574
2-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782578
(4-Propylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782580

Frequently Asked Questions

What is the IUPAC name of (4-ethylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-ethylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782579) is (4-ethylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-ethylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-ethylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is CCN1CCOC(C(=O)c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of (4-ethylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is CAMLNWNMEYWZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-2-16-3-4-18-7(6-16)9(17)8-5-15-10(19-8)11(12,13)14/h5,7H,2-4,6H2,1H3.
What are the key properties of (4-ethylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(4-ethylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 294.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylmorpholin-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).