[4-[(4-methylsulfanylphenoxy)methyl]thiadiazol-5-yl]hydrazine

C10H12N4OS2 — CID 63648232

IUPAC[4-[(4-methylsulfanylphenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESCSc1ccc(OCc2nnsc2NN)cc1
InChIInChI=1S/C10H12N4OS2/c1-16-8-4-2-7(3-5-8)15-6-9-10(12-11)17-14-13-9/h2-5,12H,6,11H2,1H3
InChIKeyLAYGIFAYFXJDLW-UHFFFAOYSA-N
MW268.37 g/mol
LogP2.12
Rot. Bonds5

About [4-[(4-methylsulfanylphenoxy)methyl]thiadiazol-5-yl]hydrazine

[4-[(4-methylsulfanylphenoxy)methyl]thiadiazol-5-yl]hydrazine (PubChem CID 63648232) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is [4-[(4-methylsulfanylphenoxy)methyl]thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-[(4-methylsulfanylphenoxy)methyl]thiadiazol-5-yl]hydrazine
PubChem CID63648232
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC Name[4-[(4-methylsulfanylphenoxy)methyl]thiadiazol-5-yl]hydrazine
SMILESCSc1ccc(OCc2nnsc2NN)cc1
InChIInChI=1S/C10H12N4OS2/c1-16-8-4-2-7(3-5-8)15-6-9-10(12-11)17-14-13-9/h2-5,12H,6,11H2,1H3
InChIKeyLAYGIFAYFXJDLW-UHFFFAOYSA-N
XLogP2.12
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(4-methylsulfanylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-[(4-methylsulfanylphenoxy)methyl]thiadiazol-5-yl]hydrazine (CID 63648232) is [4-[(4-methylsulfanylphenoxy)methyl]thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-[(4-methylsulfanylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-[(4-methylsulfanylphenoxy)methyl]thiadiazol-5-yl]hydrazine is CSc1ccc(OCc2nnsc2NN)cc1.
What is the InChIKey of [4-[(4-methylsulfanylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
The InChIKey is LAYGIFAYFXJDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c1-16-8-4-2-7(3-5-8)15-6-9-10(12-11)17-14-13-9/h2-5,12H,6,11H2,1H3.
What are the key properties of [4-[(4-methylsulfanylphenoxy)methyl]thiadiazol-5-yl]hydrazine?
[4-[(4-methylsulfanylphenoxy)methyl]thiadiazol-5-yl]hydrazine has a molecular weight of 268.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylsulfanylphenoxy)methyl]thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 63648232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).