2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C11H16F3N5OS — CID 71983388

IUPAC2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nsc(N2CCN(CC(=O)NCC(F)(F)F)CC2)n1
InChIInChI=1S/C11H16F3N5OS/c1-8-16-10(21-17-8)19-4-2-18(3-5-19)6-9(20)15-7-11(12,13)14/h2-7H2,1H3,(H,15,20)
InChIKeyCXEQKFQVGXBRMY-UHFFFAOYSA-N
MW323.34 g/mol
LogP0.65
Rot. Bonds4

About 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71983388) has the molecular formula C11H16F3N5OS and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71983388
Molecular FormulaC11H16F3N5OS
Molecular Weight323.34 g/mol
Exact Mass323.10
IUPAC Name2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nsc(N2CCN(CC(=O)NCC(F)(F)F)CC2)n1
InChIInChI=1S/C11H16F3N5OS/c1-8-16-10(21-17-8)19-4-2-18(3-5-19)6-9(20)15-7-11(12,13)14/h2-7H2,1H3,(H,15,20)
InChIKeyCXEQKFQVGXBRMY-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 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-propylacetamide
CID 72115341
N-(2-(dimethylamino)ethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807138
3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide
CID 71988596
2-(diethylamino)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 71989635
(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 75496009
1-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 71866687
1-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 71926255
3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-5-carboxamide
CID 92070660
N-ethyl-N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 105966899
N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304703
N,N-dimethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304704
N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide
CID 107304723

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 71983388) is 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is Cc1nsc(N2CCN(CC(=O)NCC(F)(F)F)CC2)n1.
What is the InChIKey of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CXEQKFQVGXBRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5OS/c1-8-16-10(21-17-8)19-4-2-18(3-5-19)6-9(20)15-7-11(12,13)14/h2-7H2,1H3,(H,15,20).
What are the key properties of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide 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 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71983388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).