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

C6H10F3N5S — CID 62246245

IUPAC2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylethanamine
SMILESCN(Cc1nnsc1NN)CC(F)(F)F
InChIInChI=1S/C6H10F3N5S/c1-14(3-6(7,8)9)2-4-5(11-10)15-13-12-4/h11H,2-3,10H2,1H3
InChIKeyVOBWXVLUXBVVLE-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.82
Rot. Bonds4

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

2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylethanamine (PubChem CID 62246245) has the molecular formula C6H10F3N5S and a molecular weight of 241.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylethanamine
PubChem CID62246245
Molecular FormulaC6H10F3N5S
Molecular Weight241.24 g/mol
Exact Mass241.06
IUPAC Name2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylethanamine
SMILESCN(Cc1nnsc1NN)CC(F)(F)F
InChIInChI=1S/C6H10F3N5S/c1-14(3-6(7,8)9)2-4-5(11-10)15-13-12-4/h11H,2-3,10H2,1H3
InChIKeyVOBWXVLUXBVVLE-UHFFFAOYSA-N
XLogP0.82
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.82
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 2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylethanamine (CID 62246245) is 2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylethanamine is CN(Cc1nnsc1NN)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylethanamine?
The InChIKey is VOBWXVLUXBVVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N5S/c1-14(3-6(7,8)9)2-4-5(11-10)15-13-12-4/h11H,2-3,10H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylethanamine?
2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylethanamine has a molecular weight of 241.24 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 62246245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).