2-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine

C6H12N4OS — CID 103437060

IUPAC2-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCSCCCNc1nnc(N)o1
InChIInChI=1S/C6H12N4OS/c1-12-4-2-3-8-6-10-9-5(7)11-6/h2-4H2,1H3,(H2,7,9)(H,8,10)
InChIKeyMZAYUYZSUVTTKD-UHFFFAOYSA-N
MW188.26 g/mol
LogP0.82
Rot. Bonds5

About 2-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine

2-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437060) has the molecular formula C6H12N4OS and a molecular weight of 188.26 g/mol. Its IUPAC name is 2-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437060
Molecular FormulaC6H12N4OS
Molecular Weight188.26 g/mol
Exact Mass188.07
IUPAC Name2-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCSCCCNc1nnc(N)o1
InChIInChI=1S/C6H12N4OS/c1-12-4-2-3-8-6-10-9-5(7)11-6/h2-4H2,1H3,(H2,7,9)(H,8,10)
InChIKeyMZAYUYZSUVTTKD-UHFFFAOYSA-N
XLogP0.82
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine (CID 103437060) is 2-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine is CSCCCNc1nnc(N)o1.
What is the InChIKey of 2-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is MZAYUYZSUVTTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4OS/c1-12-4-2-3-8-6-10-9-5(7)11-6/h2-4H2,1H3,(H2,7,9)(H,8,10).
What are the key properties of 2-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 188.26 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).