2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

C7H11F3N4OS — CID 107486249

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNc1nnc(CN(CCO)CC(F)(F)F)s1
InChIInChI=1S/C7H11F3N4OS/c8-7(9,10)4-14(1-2-15)3-5-12-13-6(11)16-5/h15H,1-4H2,(H2,11,13)
InChIKeyFZOWRUGJMZUNJE-UHFFFAOYSA-N
MW256.25 g/mol
LogP0.48
Rot. Bonds5

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107486249) has the molecular formula C7H11F3N4OS and a molecular weight of 256.25 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107486249
Molecular FormulaC7H11F3N4OS
Molecular Weight256.25 g/mol
Exact Mass256.06
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNc1nnc(CN(CCO)CC(F)(F)F)s1
InChIInChI=1S/C7H11F3N4OS/c8-7(9,10)4-14(1-2-15)3-5-12-13-6(11)16-5/h15H,1-4H2,(H2,11,13)
InChIKeyFZOWRUGJMZUNJE-UHFFFAOYSA-N
XLogP0.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107486249) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is Nc1nnc(CN(CCO)CC(F)(F)F)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is FZOWRUGJMZUNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4OS/c8-7(9,10)4-14(1-2-15)3-5-12-13-6(11)16-5/h15H,1-4H2,(H2,11,13).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 256.25 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107486249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).