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

C₁₁H₁₄F₃NO₂S — CID 142920659

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 Name: 1-(2-ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane
• PubChem CID: 142920659
• Molecular Formula: C₁₁H₁₄F₃NO₂S
• Molecular Weight: 281.30 g/mol
• Exact Mass: 281.07
• IUPAC Name: 1-(2-ethenyl-1,3-thiazol-5-yl)-2-ethoxyethanone;1,1,1-trifluoroethane
• SMILES: C=Cc1ncc(C(=O)COCC)s1.CC(F)(F)F
• InChI: 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
• InChIKey: BHFJGQCBPAZFJU-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 39.19 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.30
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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).

Sources

• PubChem CID 142920659 — identifiers, structure, computed properties (public domain)

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