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

C11H16F3N5OS — CID 71866687

IUPAC1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCc1nsc(N2CCN(C(=O)CNCC(F)(F)F)CC2)n1
InChIInChI=1S/C11H16F3N5OS/c1-8-16-10(21-17-8)19-4-2-18(3-5-19)9(20)6-15-7-11(12,13)14/h15H,2-7H2,1H3
InChIKeyUYMAOVYLESGCHW-UHFFFAOYSA-N
MW323.34 g/mol
LogP0.65
Rot. Bonds4

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

1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 71866687) has the molecular formula C11H16F3N5OS and a molecular weight of 323.34 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID71866687
Molecular FormulaC11H16F3N5OS
Molecular Weight323.34 g/mol
Exact Mass323.10
IUPAC Name1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCc1nsc(N2CCN(C(=O)CNCC(F)(F)F)CC2)n1
InChIInChI=1S/C11H16F3N5OS/c1-8-16-10(21-17-8)19-4-2-18(3-5-19)9(20)6-15-7-11(12,13)14/h15H,2-7H2,1H3
InChIKeyUYMAOVYLESGCHW-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (CID 71866687) is 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is Cc1nsc(N2CCN(C(=O)CNCC(F)(F)F)CC2)n1.
What is the InChIKey of 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is UYMAOVYLESGCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5OS/c1-8-16-10(21-17-8)19-4-2-18(3-5-19)9(20)6-15-7-11(12,13)14/h15H,2-7H2,1H3.
What are the key properties of 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 323.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 71866687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).