[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-yl]hydrazine

C12H22N4OS — CID 62244701

IUPAC[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-yl]hydrazine
SMILESCC1CC(OCc2nnsc2NN)CC(C)(C)C1
InChIInChI=1S/C12H22N4OS/c1-8-4-9(6-12(2,3)5-8)17-7-10-11(14-13)18-16-15-10/h8-9,14H,4-7,13H2,1-3H3
InChIKeyQCHJPDWAKUXHGT-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.56
Rot. Bonds4

About [4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-yl]hydrazine

[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-yl]hydrazine (PubChem CID 62244701) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is [4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-yl]hydrazine
PubChem CID62244701
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-yl]hydrazine
SMILESCC1CC(OCc2nnsc2NN)CC(C)(C)C1
InChIInChI=1S/C12H22N4OS/c1-8-4-9(6-12(2,3)5-8)17-7-10-11(14-13)18-16-15-10/h8-9,14H,4-7,13H2,1-3H3
InChIKeyQCHJPDWAKUXHGT-UHFFFAOYSA-N
XLogP2.56
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.56
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-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-yl]hydrazine (CID 62244701) is [4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-yl]hydrazine is CC1CC(OCc2nnsc2NN)CC(C)(C)C1.
What is the InChIKey of [4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-yl]hydrazine?
The InChIKey is QCHJPDWAKUXHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-8-4-9(6-12(2,3)5-8)17-7-10-11(14-13)18-16-15-10/h8-9,14H,4-7,13H2,1-3H3.
What are the key properties of [4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-yl]hydrazine?
[4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-yl]hydrazine has a molecular weight of 270.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 62244701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).