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

C8H9F3N2OS — CID 79376266

IUPAC1-[3-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCC(F)(F)F
InChIInChI=1S/C8H9F3N2OS/c1-4-6(5(2)14)7(15-13-4)12-3-8(9,10)11/h12H,3H2,1-2H3
InChIKeyNDMFWBFOZGQWNX-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.63
Rot. Bonds3

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

1-[3-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazol-4-yl]ethanone (PubChem CID 79376266) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 1-[3-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazol-4-yl]ethanone
PubChem CID79376266
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name1-[3-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nsc1NCC(F)(F)F
InChIInChI=1S/C8H9F3N2OS/c1-4-6(5(2)14)7(15-13-4)12-3-8(9,10)11/h12H,3H2,1-2H3
InChIKeyNDMFWBFOZGQWNX-UHFFFAOYSA-N
XLogP2.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazol-4-yl]ethanone (CID 79376266) is 1-[3-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazol-4-yl]ethanone is CC(=O)c1c(C)nsc1NCC(F)(F)F.
What is the InChIKey of 1-[3-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazol-4-yl]ethanone?
The InChIKey is NDMFWBFOZGQWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-4-6(5(2)14)7(15-13-4)12-3-8(9,10)11/h12H,3H2,1-2H3.
What are the key properties of 1-[3-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazol-4-yl]ethanone?
1-[3-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazol-4-yl]ethanone has a molecular weight of 238.23 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79376266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).