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

C11H18F3N5S — CID 80606940

IUPACN-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C11H18F3N5S/c1-2-15-10-17-16-9(20-10)7-18-3-5-19(6-4-18)8-11(12,13)14/h2-8H2,1H3,(H,15,17)
InChIKeyHIZBZDFUNBWWTA-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.65
Rot. Bonds5

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

N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80606940) has the molecular formula C11H18F3N5S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80606940
Molecular FormulaC11H18F3N5S
Molecular Weight309.36 g/mol
Exact Mass309.12
IUPAC NameN-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C11H18F3N5S/c1-2-15-10-17-16-9(20-10)7-18-3-5-19(6-4-18)8-11(12,13)14/h2-8H2,1H3,(H,15,17)
InChIKeyHIZBZDFUNBWWTA-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

Analyze N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

Piperazine, 1-methyl-4-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)-
CID 748107
1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-YL]piperazine
CID 2146069
1-(5-Methyl-1,3,4-thiadiazol-2-yl)piperazine dihydrochloride
CID 75480928
2-Piperazin-4-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 2146068
1-(5-Methyl-1,3,4-thiadiazol-2-yl)piperazine
CID 11171390
2-(2-Fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole
CID 91185687
N-[(2S,3R)-1-tert-butyl-2-methylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 117630311
2-Piperazin-1-ium-1-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 163606558
2-(4-Methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 3433177
1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine hydrochloride
CID 75481478
5-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80606721
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606785

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 80606940) is N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(CN2CCN(CC(F)(F)F)CC2)s1.
What is the InChIKey of N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is HIZBZDFUNBWWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5S/c1-2-15-10-17-16-9(20-10)7-18-3-5-19(6-4-18)8-11(12,13)14/h2-8H2,1H3,(H,15,17).
What are the key properties of N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-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-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).