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

C11H18F3N5S — CID 62968273

IUPACN-ethyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N5S/c1-2-15-10-9(16-17-20-10)7-18-3-5-19(6-4-18)8-11(12,13)14/h15H,2-8H2,1H3
InChIKeyBAXKFLAWEKTMIC-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.65
Rot. Bonds5

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

N-ethyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine (PubChem CID 62968273) has the molecular formula C11H18F3N5S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-ethyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine
PubChem CID62968273
Molecular FormulaC11H18F3N5S
Molecular Weight309.36 g/mol
Exact Mass309.12
IUPAC NameN-ethyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N5S/c1-2-15-10-9(16-17-20-10)7-18-3-5-19(6-4-18)8-11(12,13)14/h15H,2-8H2,1H3
InChIKeyBAXKFLAWEKTMIC-UHFFFAOYSA-N
XLogP1.65
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Piperazin-1-yl-4-(trifluoromethyl)thiadiazole
CID 141371462
4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046267
N-ethyl-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 55046269
N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 55046411
4-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62181921
N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182105
N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182106
4-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182803
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62182806
4-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182960
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylthiadiazol-5-amine
CID 62182981
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62182982

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine (CID 62968273) is N-ethyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine is CCNc1snnc1CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-ethyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
The InChIKey is BAXKFLAWEKTMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5S/c1-2-15-10-9(16-17-20-10)7-18-3-5-19(6-4-18)8-11(12,13)14/h15H,2-8H2,1H3.
What are the key properties of N-ethyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
N-ethyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine has a molecular weight of 309.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62968273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).