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

C8H14F3N5S — CID 80613766

IUPACN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1nnc(NN)s1)CC(F)(F)F
InChIInChI=1S/C8H14F3N5S/c1-2-3-16(5-8(9,10)11)4-6-14-15-7(13-12)17-6/h2-5,12H2,1H3,(H,13,15)
InChIKeyGRBZJLNPLLGFBO-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.60
Rot. Bonds6

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

N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 80613766) has the molecular formula C8H14F3N5S and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID80613766
Molecular FormulaC8H14F3N5S
Molecular Weight269.30 g/mol
Exact Mass269.09
IUPAC NameN-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1nnc(NN)s1)CC(F)(F)F
InChIInChI=1S/C8H14F3N5S/c1-2-3-16(5-8(9,10)11)4-6-14-15-7(13-12)17-6/h2-5,12H2,1H3,(H,13,15)
InChIKeyGRBZJLNPLLGFBO-UHFFFAOYSA-N
XLogP1.60
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.60
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

5-[(3,3-Difluoropyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 126986635
5-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606683
5-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606999
5-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607003
5-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607216
5-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607633
N-methyl-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607734
5-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80608074
N-methyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80608158
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 80613568
N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 80613569
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 80613666

Frequently Asked Questions

What is the IUPAC name of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 80613766) is N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(Cc1nnc(NN)s1)CC(F)(F)F.
What is the InChIKey of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is GRBZJLNPLLGFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N5S/c1-2-3-16(5-8(9,10)11)4-6-14-15-7(13-12)17-6/h2-5,12H2,1H3,(H,13,15).
What are the key properties of N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 269.30 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 80613766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).