[4-(butan-2-yloxymethyl)thiadiazol-5-yl]hydrazine

C7H14N4OS — CID 62244854

IUPAC[4-(butan-2-yloxymethyl)thiadiazol-5-yl]hydrazine
SMILESCCC(C)OCc1nnsc1NN
InChIInChI=1S/C7H14N4OS/c1-3-5(2)12-4-6-7(9-8)13-11-10-6/h5,9H,3-4,8H2,1-2H3
InChIKeyXTEQXGSFJHGIOJ-UHFFFAOYSA-N
MW202.28 g/mol
LogP1.14
Rot. Bonds5

About [4-(butan-2-yloxymethyl)thiadiazol-5-yl]hydrazine

[4-(butan-2-yloxymethyl)thiadiazol-5-yl]hydrazine (PubChem CID 62244854) has the molecular formula C7H14N4OS and a molecular weight of 202.28 g/mol. Its IUPAC name is [4-(butan-2-yloxymethyl)thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-(butan-2-yloxymethyl)thiadiazol-5-yl]hydrazine
PubChem CID62244854
Molecular FormulaC7H14N4OS
Molecular Weight202.28 g/mol
Exact Mass202.09
IUPAC Name[4-(butan-2-yloxymethyl)thiadiazol-5-yl]hydrazine
SMILESCCC(C)OCc1nnsc1NN
InChIInChI=1S/C7H14N4OS/c1-3-5(2)12-4-6-7(9-8)13-11-10-6/h5,9H,3-4,8H2,1-2H3
InChIKeyXTEQXGSFJHGIOJ-UHFFFAOYSA-N
XLogP1.14
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 51.14
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-(butan-2-yloxymethyl)thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-(butan-2-yloxymethyl)thiadiazol-5-yl]hydrazine (CID 62244854) is [4-(butan-2-yloxymethyl)thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-(butan-2-yloxymethyl)thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-(butan-2-yloxymethyl)thiadiazol-5-yl]hydrazine is CCC(C)OCc1nnsc1NN.
What is the InChIKey of [4-(butan-2-yloxymethyl)thiadiazol-5-yl]hydrazine?
The InChIKey is XTEQXGSFJHGIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4OS/c1-3-5(2)12-4-6-7(9-8)13-11-10-6/h5,9H,3-4,8H2,1-2H3.
What are the key properties of [4-(butan-2-yloxymethyl)thiadiazol-5-yl]hydrazine?
[4-(butan-2-yloxymethyl)thiadiazol-5-yl]hydrazine has a molecular weight of 202.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(butan-2-yloxymethyl)thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 62244854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).