1-[5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanone

C8H8F3NOS — CID 131021314

IUPAC1-[5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(CC(F)(F)F)sc1C
InChIInChI=1S/C8H8F3NOS/c1-4(13)7-5(2)14-6(12-7)3-8(9,10)11/h3H2,1-2H3
InChIKeyXDSOHKTXWMNOAA-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.76
Rot. Bonds2

About 1-[5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanone

1-[5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 131021314) has the molecular formula C8H8F3NOS and a molecular weight of 223.22 g/mol. Its IUPAC name is 1-[5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanone
PubChem CID131021314
Molecular FormulaC8H8F3NOS
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Name1-[5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1nc(CC(F)(F)F)sc1C
InChIInChI=1S/C8H8F3NOS/c1-4(13)7-5(2)14-6(12-7)3-8(9,10)11/h3H2,1-2H3
InChIKeyXDSOHKTXWMNOAA-UHFFFAOYSA-N
XLogP2.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanone (CID 131021314) is 1-[5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1nc(CC(F)(F)F)sc1C.
What is the InChIKey of 1-[5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is XDSOHKTXWMNOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS/c1-4(13)7-5(2)14-6(12-7)3-8(9,10)11/h3H2,1-2H3.
What are the key properties of 1-[5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanone?
1-[5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 223.22 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 131021314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).