1,3-thiazol-4-yl 2,2,2-trifluoroacetate

C5H2F3NO2S — CID 152639009

IUPAC1,3-thiazol-4-yl 2,2,2-trifluoroacetate
SMILESO=C(Oc1cscn1)C(F)(F)F
InChIInChI=1S/C5H2F3NO2S/c6-5(7,8)4(10)11-3-1-12-2-9-3/h1-2H
InChIKeyZFDRNEYDPMDYFW-UHFFFAOYSA-N
MW197.14 g/mol
LogP1.61
Rot. Bonds1

About 1,3-thiazol-4-yl 2,2,2-trifluoroacetate

1,3-thiazol-4-yl 2,2,2-trifluoroacetate (PubChem CID 152639009) has the molecular formula C5H2F3NO2S and a molecular weight of 197.14 g/mol. Its IUPAC name is 1,3-thiazol-4-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1,3-thiazol-4-yl 2,2,2-trifluoroacetate
PubChem CID152639009
Molecular FormulaC5H2F3NO2S
Molecular Weight197.14 g/mol
Exact Mass196.98
IUPAC Name1,3-thiazol-4-yl 2,2,2-trifluoroacetate
SMILESO=C(Oc1cscn1)C(F)(F)F
InChIInChI=1S/C5H2F3NO2S/c6-5(7,8)4(10)11-3-1-12-2-9-3/h1-2H
InChIKeyZFDRNEYDPMDYFW-UHFFFAOYSA-N
XLogP1.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl 2,2,2-trifluoroacetate?
The IUPAC name of 1,3-thiazol-4-yl 2,2,2-trifluoroacetate (CID 152639009) is 1,3-thiazol-4-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for 1,3-thiazol-4-yl 2,2,2-trifluoroacetate?
The canonical SMILES for 1,3-thiazol-4-yl 2,2,2-trifluoroacetate is O=C(Oc1cscn1)C(F)(F)F.
What is the InChIKey of 1,3-thiazol-4-yl 2,2,2-trifluoroacetate?
The InChIKey is ZFDRNEYDPMDYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3NO2S/c6-5(7,8)4(10)11-3-1-12-2-9-3/h1-2H.
What are the key properties of 1,3-thiazol-4-yl 2,2,2-trifluoroacetate?
1,3-thiazol-4-yl 2,2,2-trifluoroacetate has a molecular weight of 197.14 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 152639009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).