N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]ethanamine

C7H12F3N5S — CID 62245696

IUPACN-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]ethanamine
SMILESCCN(Cc1nnsc1NN)CC(F)(F)F
InChIInChI=1S/C7H12F3N5S/c1-2-15(4-7(8,9)10)3-5-6(12-11)16-14-13-5/h12H,2-4,11H2,1H3
InChIKeySQCIYOSHIOSWMJ-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.21
Rot. Bonds5

About N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]ethanamine

N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]ethanamine (PubChem CID 62245696) has the molecular formula C7H12F3N5S and a molecular weight of 255.27 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]ethanamine
PubChem CID62245696
Molecular FormulaC7H12F3N5S
Molecular Weight255.27 g/mol
Exact Mass255.08
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]ethanamine
SMILESCCN(Cc1nnsc1NN)CC(F)(F)F
InChIInChI=1S/C7H12F3N5S/c1-2-15(4-7(8,9)10)3-5-6(12-11)16-14-13-5/h12H,2-4,11H2,1H3
InChIKeySQCIYOSHIOSWMJ-UHFFFAOYSA-N
XLogP1.21
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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
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
4-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62184033
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62184386

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]ethanamine (CID 62245696) is N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]ethanamine is CCN(Cc1nnsc1NN)CC(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]ethanamine?
The InChIKey is SQCIYOSHIOSWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5S/c1-2-15(4-7(8,9)10)3-5-6(12-11)16-14-13-5/h12H,2-4,11H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]ethanamine?
N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]ethanamine has a molecular weight of 255.27 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 62245696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).