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

C5H2F3NOS — CID 69192063

IUPAC2,2,2-trifluoro-1-(1,3-thiazol-5-yl)ethanone
SMILESO=C(c1cncs1)C(F)(F)F
InChIInChI=1S/C5H2F3NOS/c6-5(7,8)4(10)3-1-9-2-11-3/h1-2H
InChIKeyLLAFJJGGGUQTLS-UHFFFAOYSA-N
MW181.14 g/mol
LogP1.89
Rot. Bonds1

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

2,2,2-trifluoro-1-(1,3-thiazol-5-yl)ethanone (PubChem CID 69192063) has the molecular formula C5H2F3NOS and a molecular weight of 181.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1,3-thiazol-5-yl)ethanone
PubChem CID69192063
Molecular FormulaC5H2F3NOS
Molecular Weight181.14 g/mol
Exact Mass180.98
IUPAC Name2,2,2-trifluoro-1-(1,3-thiazol-5-yl)ethanone
SMILESO=C(c1cncs1)C(F)(F)F
InChIInChI=1S/C5H2F3NOS/c6-5(7,8)4(10)3-1-9-2-11-3/h1-2H
InChIKeyLLAFJJGGGUQTLS-UHFFFAOYSA-N
XLogP1.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.14
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1,3-thiazol-5-yl)ethanone (CID 69192063) is 2,2,2-trifluoro-1-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1,3-thiazol-5-yl)ethanone is O=C(c1cncs1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1,3-thiazol-5-yl)ethanone?
The InChIKey is LLAFJJGGGUQTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3NOS/c6-5(7,8)4(10)3-1-9-2-11-3/h1-2H.
What are the key properties of 2,2,2-trifluoro-1-(1,3-thiazol-5-yl)ethanone?
2,2,2-trifluoro-1-(1,3-thiazol-5-yl)ethanone has a molecular weight of 181.14 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 69192063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).