1-methyl-3-(1,3-thiazol-4-yl)-6-(2,2,2-trifluoroethyl)piperazine-2,5-dione

C10H10F3N3O2S — CID 167925965

IUPAC1-methyl-3-(1,3-thiazol-4-yl)-6-(2,2,2-trifluoroethyl)piperazine-2,5-dione
SMILESCN1C(=O)C(c2cscn2)NC(=O)C1CC(F)(F)F
InChIInChI=1S/C10H10F3N3O2S/c1-16-6(2-10(11,12)13)8(17)15-7(9(16)18)5-3-19-4-14-5/h3-4,6-7H,2H2,1H3,(H,15,17)
InChIKeyCSMFSLWKEHFEHU-UHFFFAOYSA-N
MW293.27 g/mol
LogP1.09
Rot. Bonds2

About 1-methyl-3-(1,3-thiazol-4-yl)-6-(2,2,2-trifluoroethyl)piperazine-2,5-dione

1-methyl-3-(1,3-thiazol-4-yl)-6-(2,2,2-trifluoroethyl)piperazine-2,5-dione (PubChem CID 167925965) has the molecular formula C10H10F3N3O2S and a molecular weight of 293.27 g/mol. Its IUPAC name is 1-methyl-3-(1,3-thiazol-4-yl)-6-(2,2,2-trifluoroethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(1,3-thiazol-4-yl)-6-(2,2,2-trifluoroethyl)piperazine-2,5-dione
PubChem CID167925965
Molecular FormulaC10H10F3N3O2S
Molecular Weight293.27 g/mol
Exact Mass293.04
IUPAC Name1-methyl-3-(1,3-thiazol-4-yl)-6-(2,2,2-trifluoroethyl)piperazine-2,5-dione
SMILESCN1C(=O)C(c2cscn2)NC(=O)C1CC(F)(F)F
InChIInChI=1S/C10H10F3N3O2S/c1-16-6(2-10(11,12)13)8(17)15-7(9(16)18)5-3-19-4-14-5/h3-4,6-7H,2H2,1H3,(H,15,17)
InChIKeyCSMFSLWKEHFEHU-UHFFFAOYSA-N
XLogP1.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,3-thiazol-4-yl)-6-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The IUPAC name of 1-methyl-3-(1,3-thiazol-4-yl)-6-(2,2,2-trifluoroethyl)piperazine-2,5-dione (CID 167925965) is 1-methyl-3-(1,3-thiazol-4-yl)-6-(2,2,2-trifluoroethyl)piperazine-2,5-dione.
What is the SMILES notation for 1-methyl-3-(1,3-thiazol-4-yl)-6-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The canonical SMILES for 1-methyl-3-(1,3-thiazol-4-yl)-6-(2,2,2-trifluoroethyl)piperazine-2,5-dione is CN1C(=O)C(c2cscn2)NC(=O)C1CC(F)(F)F.
What is the InChIKey of 1-methyl-3-(1,3-thiazol-4-yl)-6-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The InChIKey is CSMFSLWKEHFEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2S/c1-16-6(2-10(11,12)13)8(17)15-7(9(16)18)5-3-19-4-14-5/h3-4,6-7H,2H2,1H3,(H,15,17).
What are the key properties of 1-methyl-3-(1,3-thiazol-4-yl)-6-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
1-methyl-3-(1,3-thiazol-4-yl)-6-(2,2,2-trifluoroethyl)piperazine-2,5-dione has a molecular weight of 293.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,3-thiazol-4-yl)-6-(2,2,2-trifluoroethyl)piperazine-2,5-dione is sourced from PubChem (CID 167925965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).