2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine

C12H20F3N5S — CID 107304492

IUPAC2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine
SMILESCCCC(CN)N1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C12H20F3N5S/c1-2-3-9(8-16)19-4-6-20(7-5-19)11-17-10(18-21-11)12(13,14)15/h9H,2-8,16H2,1H3
InChIKeyHHYRQJYTDWIATK-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.81
Rot. Bonds5

About 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine

2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine (PubChem CID 107304492) has the molecular formula C12H20F3N5S and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine
PubChem CID107304492
Molecular FormulaC12H20F3N5S
Molecular Weight323.39 g/mol
Exact Mass323.14
IUPAC Name2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine
SMILESCCCC(CN)N1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C12H20F3N5S/c1-2-3-9(8-16)19-4-6-20(7-5-19)11-17-10(18-21-11)12(13,14)15/h9H,2-8,16H2,1H3
InChIKeyHHYRQJYTDWIATK-UHFFFAOYSA-N
XLogP1.81
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine 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 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine?
The IUPAC name of 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine (CID 107304492) is 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine is CCCC(CN)N1CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine?
The InChIKey is HHYRQJYTDWIATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N5S/c1-2-3-9(8-16)19-4-6-20(7-5-19)11-17-10(18-21-11)12(13,14)15/h9H,2-8,16H2,1H3.
What are the key properties of 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine?
2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine has a molecular weight of 323.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 107304492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).