[4-(2-butoxyethoxymethyl)thiadiazol-5-yl]hydrazine

C9H18N4O2S — CID 62244332

IUPAC[4-(2-butoxyethoxymethyl)thiadiazol-5-yl]hydrazine
SMILESCCCCOCCOCc1nnsc1NN
InChIInChI=1S/C9H18N4O2S/c1-2-3-4-14-5-6-15-7-8-9(11-10)16-13-12-8/h11H,2-7,10H2,1H3
InChIKeySHBNHHNWSZMEBA-UHFFFAOYSA-N
MW246.34 g/mol
LogP1.16
Rot. Bonds9

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

[4-(2-butoxyethoxymethyl)thiadiazol-5-yl]hydrazine (PubChem CID 62244332) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is [4-(2-butoxyethoxymethyl)thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-butoxyethoxymethyl)thiadiazol-5-yl]hydrazine
PubChem CID62244332
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name[4-(2-butoxyethoxymethyl)thiadiazol-5-yl]hydrazine
SMILESCCCCOCCOCc1nnsc1NN
InChIInChI=1S/C9H18N4O2S/c1-2-3-4-14-5-6-15-7-8-9(11-10)16-13-12-8/h11H,2-7,10H2,1H3
InChIKeySHBNHHNWSZMEBA-UHFFFAOYSA-N
XLogP1.16
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-butoxyethoxymethyl)thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-(2-butoxyethoxymethyl)thiadiazol-5-yl]hydrazine (CID 62244332) is [4-(2-butoxyethoxymethyl)thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-(2-butoxyethoxymethyl)thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-(2-butoxyethoxymethyl)thiadiazol-5-yl]hydrazine is CCCCOCCOCc1nnsc1NN.
What is the InChIKey of [4-(2-butoxyethoxymethyl)thiadiazol-5-yl]hydrazine?
The InChIKey is SHBNHHNWSZMEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-2-3-4-14-5-6-15-7-8-9(11-10)16-13-12-8/h11H,2-7,10H2,1H3.
What are the key properties of [4-(2-butoxyethoxymethyl)thiadiazol-5-yl]hydrazine?
[4-(2-butoxyethoxymethyl)thiadiazol-5-yl]hydrazine has a molecular weight of 246.34 g/mol, XLogP of 1.16, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-butoxyethoxymethyl)thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 62244332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).