[3-acetyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-4-yl] acetate

C14H11F3N2O3S — CID 17035214

IUPAC[3-acetyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-4-yl] acetate
SMILESCC(=O)Oc1cs/c(=N\c2cccc(C(F)(F)F)c2)n1C(C)=O
InChIInChI=1S/C14H11F3N2O3S/c1-8(20)19-12(22-9(2)21)7-23-13(19)18-11-5-3-4-10(6-11)14(15,16)17/h3-7H,1-2H3/b18-13-
InChIKeyYYHSYSQSKOFZMG-AQTBWJFISA-N
MW344.31 g/mol
LogP3.39
Rot. Bonds2

About [3-acetyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-4-yl] acetate

[3-acetyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-4-yl] acetate (PubChem CID 17035214) has the molecular formula C14H11F3N2O3S and a molecular weight of 344.31 g/mol. Its IUPAC name is [3-acetyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-4-yl] acetate.

Molecular Properties

Compound Name[3-acetyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-4-yl] acetate
PubChem CID17035214
Molecular FormulaC14H11F3N2O3S
Molecular Weight344.31 g/mol
Exact Mass344.04
IUPAC Name[3-acetyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-4-yl] acetate
SMILESCC(=O)Oc1cs/c(=N\c2cccc(C(F)(F)F)c2)n1C(C)=O
InChIInChI=1S/C14H11F3N2O3S/c1-8(20)19-12(22-9(2)21)7-23-13(19)18-11-5-3-4-10(6-11)14(15,16)17/h3-7H,1-2H3/b18-13-
InChIKeyYYHSYSQSKOFZMG-AQTBWJFISA-N
XLogP3.39
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-acetyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-4-yl] acetate?
The IUPAC name of [3-acetyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-4-yl] acetate (CID 17035214) is [3-acetyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-4-yl] acetate.
What is the SMILES notation for [3-acetyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-4-yl] acetate?
The canonical SMILES for [3-acetyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-4-yl] acetate is CC(=O)Oc1cs/c(=N\c2cccc(C(F)(F)F)c2)n1C(C)=O.
What is the InChIKey of [3-acetyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-4-yl] acetate?
The InChIKey is YYHSYSQSKOFZMG-AQTBWJFISA-N. The full InChI is InChI=1S/C14H11F3N2O3S/c1-8(20)19-12(22-9(2)21)7-23-13(19)18-11-5-3-4-10(6-11)14(15,16)17/h3-7H,1-2H3/b18-13-.
What are the key properties of [3-acetyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-4-yl] acetate?
[3-acetyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-4-yl] acetate has a molecular weight of 344.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-4-yl] acetate is sourced from PubChem (CID 17035214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).