[4-(3-methoxypropylsulfanylmethyl)thiadiazol-5-yl]hydrazine

C7H14N4OS2 — CID 63856525

IUPAC[4-(3-methoxypropylsulfanylmethyl)thiadiazol-5-yl]hydrazine
SMILESCOCCCSCc1nnsc1NN
InChIInChI=1S/C7H14N4OS2/c1-12-3-2-4-13-5-6-7(9-8)14-11-10-6/h9H,2-5,8H2,1H3
InChIKeyPLPAHFREECWHKN-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.09
Rot. Bonds7

About [4-(3-methoxypropylsulfanylmethyl)thiadiazol-5-yl]hydrazine

[4-(3-methoxypropylsulfanylmethyl)thiadiazol-5-yl]hydrazine (PubChem CID 63856525) has the molecular formula C7H14N4OS2 and a molecular weight of 234.35 g/mol. Its IUPAC name is [4-(3-methoxypropylsulfanylmethyl)thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-methoxypropylsulfanylmethyl)thiadiazol-5-yl]hydrazine
PubChem CID63856525
Molecular FormulaC7H14N4OS2
Molecular Weight234.35 g/mol
Exact Mass234.06
IUPAC Name[4-(3-methoxypropylsulfanylmethyl)thiadiazol-5-yl]hydrazine
SMILESCOCCCSCc1nnsc1NN
InChIInChI=1S/C7H14N4OS2/c1-12-3-2-4-13-5-6-7(9-8)14-11-10-6/h9H,2-5,8H2,1H3
InChIKeyPLPAHFREECWHKN-UHFFFAOYSA-N
XLogP1.09
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(3-methoxypropylsulfanylmethyl)thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-(3-methoxypropylsulfanylmethyl)thiadiazol-5-yl]hydrazine (CID 63856525) is [4-(3-methoxypropylsulfanylmethyl)thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-(3-methoxypropylsulfanylmethyl)thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-(3-methoxypropylsulfanylmethyl)thiadiazol-5-yl]hydrazine is COCCCSCc1nnsc1NN.
What is the InChIKey of [4-(3-methoxypropylsulfanylmethyl)thiadiazol-5-yl]hydrazine?
The InChIKey is PLPAHFREECWHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4OS2/c1-12-3-2-4-13-5-6-7(9-8)14-11-10-6/h9H,2-5,8H2,1H3.
What are the key properties of [4-(3-methoxypropylsulfanylmethyl)thiadiazol-5-yl]hydrazine?
[4-(3-methoxypropylsulfanylmethyl)thiadiazol-5-yl]hydrazine has a molecular weight of 234.35 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxypropylsulfanylmethyl)thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 63856525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).