[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine

C5H7F3N4OS — CID 80613604

IUPAC[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(COCC(F)(F)F)s1
InChIInChI=1S/C5H7F3N4OS/c6-5(7,8)2-13-1-3-11-12-4(10-9)14-3/h1-2,9H2,(H,10,12)
InChIKeyWFZZRSSDJGEIJR-UHFFFAOYSA-N
MW228.20 g/mol
LogP0.90
Rot. Bonds4

About [5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine

[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80613604) has the molecular formula C5H7F3N4OS and a molecular weight of 228.20 g/mol. Its IUPAC name is [5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80613604
Molecular FormulaC5H7F3N4OS
Molecular Weight228.20 g/mol
Exact Mass228.03
IUPAC Name[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(COCC(F)(F)F)s1
InChIInChI=1S/C5H7F3N4OS/c6-5(7,8)2-13-1-3-11-12-4(10-9)14-3/h1-2,9H2,(H,10,12)
InChIKeyWFZZRSSDJGEIJR-UHFFFAOYSA-N
XLogP0.90
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.90
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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Frequently Asked Questions

What is the IUPAC name of [5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine (CID 80613604) is [5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine is NNc1nnc(COCC(F)(F)F)s1.
What is the InChIKey of [5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is WFZZRSSDJGEIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N4OS/c6-5(7,8)2-13-1-3-11-12-4(10-9)14-3/h1-2,9H2,(H,10,12).
What are the key properties of [5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 228.20 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2,2-trifluoroethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80613604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).