1-[5-[(E)-but-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone

C10H10F3NOS — CID 126498011

IUPAC1-[5-[(E)-but-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC/C=C/c1sc(C(F)(F)F)nc1C(C)=O
InChIInChI=1S/C10H10F3NOS/c1-3-4-5-7-8(6(2)15)14-9(16-7)10(11,12)13/h4-5H,3H2,1-2H3/b5-4+
InChIKeyWFSZDENHGGBJDT-SNAWJCMRSA-N
MW249.26 g/mol
LogP3.79
Rot. Bonds3

About 1-[5-[(E)-but-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone

1-[5-[(E)-but-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 126498011) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is 1-[5-[(E)-but-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(E)-but-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
PubChem CID126498011
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC Name1-[5-[(E)-but-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC/C=C/c1sc(C(F)(F)F)nc1C(C)=O
InChIInChI=1S/C10H10F3NOS/c1-3-4-5-7-8(6(2)15)14-9(16-7)10(11,12)13/h4-5H,3H2,1-2H3/b5-4+
InChIKeyWFSZDENHGGBJDT-SNAWJCMRSA-N
XLogP3.79
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Trifluoromethyl-5-methyl-4-acetyl-thiazole
CID 19974130
1-[5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-1-one
CID 145236692
1-[5-Methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanone
CID 131021314
2-pentyl-5H-1,3-benzothiazol-4-one
CID 70492419
2-methoxy-5H-1,3-benzothiazol-4-one
CID 70586905
5-Hepta-1,3,5-trien-3-yl-2-methyl-1,3-thiazole-4-carbaldehyde
CID 91500424
1-[5-[(E)-3-methoxyprop-1-enyl]-2-methyl-1,3-thiazol-4-yl]ethanone
CID 126498070
1-[5-[(Z)-but-2-en-2-yl]-4-methyl-1,3-thiazol-2-yl]ethanone
CID 126700093

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-but-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-[(E)-but-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone (CID 126498011) is 1-[5-[(E)-but-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-[(E)-but-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-[(E)-but-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone is CC/C=C/c1sc(C(F)(F)F)nc1C(C)=O.
What is the InChIKey of 1-[5-[(E)-but-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is WFSZDENHGGBJDT-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H10F3NOS/c1-3-4-5-7-8(6(2)15)14-9(16-7)10(11,12)13/h4-5H,3H2,1-2H3/b5-4+.
What are the key properties of 1-[5-[(E)-but-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone?
1-[5-[(E)-but-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 249.26 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-but-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 126498011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).