[4-(hexoxymethyl)thiadiazol-5-yl]hydrazine

C9H18N4OS — CID 62245074

IUPAC[4-(hexoxymethyl)thiadiazol-5-yl]hydrazine
SMILESCCCCCCOCc1nnsc1NN
InChIInChI=1S/C9H18N4OS/c1-2-3-4-5-6-14-7-8-9(11-10)15-13-12-8/h11H,2-7,10H2,1H3
InChIKeyHXRZBMMNIKCAGZ-UHFFFAOYSA-N
MW230.34 g/mol
LogP1.92
Rot. Bonds8

About [4-(hexoxymethyl)thiadiazol-5-yl]hydrazine

[4-(hexoxymethyl)thiadiazol-5-yl]hydrazine (PubChem CID 62245074) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is [4-(hexoxymethyl)thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-(hexoxymethyl)thiadiazol-5-yl]hydrazine
PubChem CID62245074
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC Name[4-(hexoxymethyl)thiadiazol-5-yl]hydrazine
SMILESCCCCCCOCc1nnsc1NN
InChIInChI=1S/C9H18N4OS/c1-2-3-4-5-6-14-7-8-9(11-10)15-13-12-8/h11H,2-7,10H2,1H3
InChIKeyHXRZBMMNIKCAGZ-UHFFFAOYSA-N
XLogP1.92
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(hexoxymethyl)thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-(hexoxymethyl)thiadiazol-5-yl]hydrazine (CID 62245074) is [4-(hexoxymethyl)thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-(hexoxymethyl)thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-(hexoxymethyl)thiadiazol-5-yl]hydrazine is CCCCCCOCc1nnsc1NN.
What is the InChIKey of [4-(hexoxymethyl)thiadiazol-5-yl]hydrazine?
The InChIKey is HXRZBMMNIKCAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-2-3-4-5-6-14-7-8-9(11-10)15-13-12-8/h11H,2-7,10H2,1H3.
What are the key properties of [4-(hexoxymethyl)thiadiazol-5-yl]hydrazine?
[4-(hexoxymethyl)thiadiazol-5-yl]hydrazine has a molecular weight of 230.34 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hexoxymethyl)thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 62245074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).