1-(2-ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane

C11H14F3NO2S — CID 142920659

IUPAC1-(2-ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane
SMILESC=Cc1ncc(C(=O)COCC)s1.CC(F)(F)F
InChIInChI=1S/C9H11NO2S.C2H3F3/c1-3-9-10-5-8(13-9)7(11)6-12-4-2;1-2(3,4)5/h3,5H,1,4,6H2,2H3;1H3
InChIKeyBHFJGQCBPAZFJU-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.57
Rot. Bonds5

About 1-(2-ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane

1-(2-ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane (PubChem CID 142920659) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is 1-(2-ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane.

Molecular Properties

Compound Name1-(2-ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane
PubChem CID142920659
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name1-(2-ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane
SMILESC=Cc1ncc(C(=O)COCC)s1.CC(F)(F)F
InChIInChI=1S/C9H11NO2S.C2H3F3/c1-3-9-10-5-8(13-9)7(11)6-12-4-2;1-2(3,4)5/h3,5H,1,4,6H2,2H3;1H3
InChIKeyBHFJGQCBPAZFJU-UHFFFAOYSA-N
XLogP3.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
CID 155978068
1-[2-(3,3,3-Trifluoropropyl)-1,3-thiazol-5-yl]ethanone
CID 79964750
1-[2-[2-(2,2-Difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 103150093
1-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 103150094
1-[2-(2,2,2-Trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 103476008
1-[2-(2,2,3,3-Tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 103476009
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
2-Ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782538
2-Methoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106782574
2,2-Dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanone
CID 106782576

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane?
The IUPAC name of 1-(2-ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane (CID 142920659) is 1-(2-ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane.
What is the SMILES notation for 1-(2-ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane?
The canonical SMILES for 1-(2-ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane is C=Cc1ncc(C(=O)COCC)s1.CC(F)(F)F.
What is the InChIKey of 1-(2-ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane?
The InChIKey is BHFJGQCBPAZFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S.C2H3F3/c1-3-9-10-5-8(13-9)7(11)6-12-4-2;1-2(3,4)5/h3,5H,1,4,6H2,2H3;1H3.
What are the key properties of 1-(2-ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane?
1-(2-ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane has a molecular weight of 281.30 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane is sourced from PubChem (CID 142920659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).