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

C10H20N4OS — CID 62244338

IUPAC[4-(heptoxymethyl)thiadiazol-5-yl]hydrazine
SMILESCCCCCCCOCc1nnsc1NN
InChIInChI=1S/C10H20N4OS/c1-2-3-4-5-6-7-15-8-9-10(12-11)16-14-13-9/h12H,2-8,11H2,1H3
InChIKeyDSHSSVMZIWIPDP-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.31
Rot. Bonds9

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

[4-(heptoxymethyl)thiadiazol-5-yl]hydrazine (PubChem CID 62244338) has the molecular formula C10H20N4OS and a molecular weight of 244.36 g/mol. Its IUPAC name is [4-(heptoxymethyl)thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-(heptoxymethyl)thiadiazol-5-yl]hydrazine
PubChem CID62244338
Molecular FormulaC10H20N4OS
Molecular Weight244.36 g/mol
Exact Mass244.14
IUPAC Name[4-(heptoxymethyl)thiadiazol-5-yl]hydrazine
SMILESCCCCCCCOCc1nnsc1NN
InChIInChI=1S/C10H20N4OS/c1-2-3-4-5-6-7-15-8-9-10(12-11)16-14-13-9/h12H,2-8,11H2,1H3
InChIKeyDSHSSVMZIWIPDP-UHFFFAOYSA-N
XLogP2.31
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.31
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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Related Compounds

CID 82793200
CID 82793200
CID 62189585
CID 62189585
CID 62193059
CID 62193059
CID 62193067
CID 62193067
CID 62193249
CID 62193249
CID 62193591
CID 62193591
CID 62194120
CID 62194120
CID 62194145
CID 62194145
CID 62194196
CID 62194196
CID 62194818
CID 62194818
CID 62244103
CID 62244103
CID 62244163
CID 62244163

Frequently Asked Questions

What is the IUPAC name of [4-(heptoxymethyl)thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-(heptoxymethyl)thiadiazol-5-yl]hydrazine (CID 62244338) is [4-(heptoxymethyl)thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-(heptoxymethyl)thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-(heptoxymethyl)thiadiazol-5-yl]hydrazine is CCCCCCCOCc1nnsc1NN.
What is the InChIKey of [4-(heptoxymethyl)thiadiazol-5-yl]hydrazine?
The InChIKey is DSHSSVMZIWIPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS/c1-2-3-4-5-6-7-15-8-9-10(12-11)16-14-13-9/h12H,2-8,11H2,1H3.
What are the key properties of [4-(heptoxymethyl)thiadiazol-5-yl]hydrazine?
[4-(heptoxymethyl)thiadiazol-5-yl]hydrazine has a molecular weight of 244.36 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(heptoxymethyl)thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 62244338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).