[4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine

C6H9F3N4OS — CID 66274430

IUPAC[4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine
SMILESCC(OCc1nnsc1NN)C(F)(F)F
InChIInChI=1S/C6H9F3N4OS/c1-3(6(7,8)9)14-2-4-5(11-10)15-13-12-4/h3,11H,2,10H2,1H3
InChIKeyXNZOCMXMLJXUNU-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.29
Rot. Bonds4

About [4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine

[4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine (PubChem CID 66274430) has the molecular formula C6H9F3N4OS and a molecular weight of 242.23 g/mol. Its IUPAC name is [4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine
PubChem CID66274430
Molecular FormulaC6H9F3N4OS
Molecular Weight242.23 g/mol
Exact Mass242.04
IUPAC Name[4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine
SMILESCC(OCc1nnsc1NN)C(F)(F)F
InChIInChI=1S/C6H9F3N4OS/c1-3(6(7,8)9)14-2-4-5(11-10)15-13-12-4/h3,11H,2,10H2,1H3
InChIKeyXNZOCMXMLJXUNU-UHFFFAOYSA-N
XLogP1.29
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.29
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-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine (CID 66274430) is [4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine is CC(OCc1nnsc1NN)C(F)(F)F.
What is the InChIKey of [4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine?
The InChIKey is XNZOCMXMLJXUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4OS/c1-3(6(7,8)9)14-2-4-5(11-10)15-13-12-4/h3,11H,2,10H2,1H3.
What are the key properties of [4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine?
[4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine has a molecular weight of 242.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1,1-trifluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 66274430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).