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

C9H14F3N5S — CID 62968108

IUPAC4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine
SMILESNc1snnc1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H14F3N5S/c10-9(11,12)6-17-3-1-16(2-4-17)5-7-8(13)18-15-14-7/h1-6,13H2
InChIKeyXETIGTPTIXVSHI-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.80
Rot. Bonds3

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

4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine (PubChem CID 62968108) has the molecular formula C9H14F3N5S and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine
PubChem CID62968108
Molecular FormulaC9H14F3N5S
Molecular Weight281.31 g/mol
Exact Mass281.09
IUPAC Name4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine
SMILESNc1snnc1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H14F3N5S/c10-9(11,12)6-17-3-1-16(2-4-17)5-7-8(13)18-15-14-7/h1-6,13H2
InChIKeyXETIGTPTIXVSHI-UHFFFAOYSA-N
XLogP0.80
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182446
4-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182803
4-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182960
N-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183147
N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183486
N-ethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183660
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62183661

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
The IUPAC name of 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine (CID 62968108) is 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine is Nc1snnc1CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
The InChIKey is XETIGTPTIXVSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5S/c10-9(11,12)6-17-3-1-16(2-4-17)5-7-8(13)18-15-14-7/h1-6,13H2.
What are the key properties of 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine?
4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine has a molecular weight of 281.31 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiadiazol-5-amine is sourced from PubChem (CID 62968108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).