[4-(2,2-difluoroethoxymethyl)thiadiazol-5-yl]hydrazine

C5H8F2N4OS — CID 82005866

IUPAC[4-(2,2-difluoroethoxymethyl)thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1COCC(F)F
InChIInChI=1S/C5H8F2N4OS/c6-4(7)2-12-1-3-5(9-8)13-11-10-3/h4,9H,1-2,8H2
InChIKeyACSDRZCKDVSPOM-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.61
Rot. Bonds5

About [4-(2,2-difluoroethoxymethyl)thiadiazol-5-yl]hydrazine

[4-(2,2-difluoroethoxymethyl)thiadiazol-5-yl]hydrazine (PubChem CID 82005866) has the molecular formula C5H8F2N4OS and a molecular weight of 210.21 g/mol. Its IUPAC name is [4-(2,2-difluoroethoxymethyl)thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,2-difluoroethoxymethyl)thiadiazol-5-yl]hydrazine
PubChem CID82005866
Molecular FormulaC5H8F2N4OS
Molecular Weight210.21 g/mol
Exact Mass210.04
IUPAC Name[4-(2,2-difluoroethoxymethyl)thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1COCC(F)F
InChIInChI=1S/C5H8F2N4OS/c6-4(7)2-12-1-3-5(9-8)13-11-10-3/h4,9H,1-2,8H2
InChIKeyACSDRZCKDVSPOM-UHFFFAOYSA-N
XLogP0.61
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.61
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 [4-(2,2-difluoroethoxymethyl)thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-(2,2-difluoroethoxymethyl)thiadiazol-5-yl]hydrazine (CID 82005866) is [4-(2,2-difluoroethoxymethyl)thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-(2,2-difluoroethoxymethyl)thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-(2,2-difluoroethoxymethyl)thiadiazol-5-yl]hydrazine is NNc1snnc1COCC(F)F.
What is the InChIKey of [4-(2,2-difluoroethoxymethyl)thiadiazol-5-yl]hydrazine?
The InChIKey is ACSDRZCKDVSPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4OS/c6-4(7)2-12-1-3-5(9-8)13-11-10-3/h4,9H,1-2,8H2.
What are the key properties of [4-(2,2-difluoroethoxymethyl)thiadiazol-5-yl]hydrazine?
[4-(2,2-difluoroethoxymethyl)thiadiazol-5-yl]hydrazine has a molecular weight of 210.21 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethoxymethyl)thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 82005866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).