[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine

C10H12N4S2 — CID 80614526

IUPAC[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(CSCc2ccccc2)s1
InChIInChI=1S/C10H12N4S2/c11-12-10-14-13-9(16-10)7-15-6-8-4-2-1-3-5-8/h1-5H,6-7,11H2,(H,12,14)
InChIKeyBHOYHSDRZGPECT-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.26
Rot. Bonds5

About [5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine

[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80614526) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is [5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80614526
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(CSCc2ccccc2)s1
InChIInChI=1S/C10H12N4S2/c11-12-10-14-13-9(16-10)7-15-6-8-4-2-1-3-5-8/h1-5H,6-7,11H2,(H,12,14)
InChIKeyBHOYHSDRZGPECT-UHFFFAOYSA-N
XLogP2.26
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.26
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 [5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine (CID 80614526) is [5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine is NNc1nnc(CSCc2ccccc2)s1.
What is the InChIKey of [5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is BHOYHSDRZGPECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S2/c11-12-10-14-13-9(16-10)7-15-6-8-4-2-1-3-5-8/h1-5H,6-7,11H2,(H,12,14).
What are the key properties of [5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 252.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80614526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).