5-[(cyclopropylamino)methyl]-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine

C12H22N4OS — CID 114129282

IUPAC5-[(cyclopropylamino)methyl]-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine
SMILESCSCCCCCNc1nnc(CNC2CC2)o1
InChIInChI=1S/C12H22N4OS/c1-18-8-4-2-3-7-13-12-16-15-11(17-12)9-14-10-5-6-10/h10,14H,2-9H2,1H3,(H,13,16)
InChIKeyKWIDIOZMROAZIR-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.27
Rot. Bonds10

About 5-[(cyclopropylamino)methyl]-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine

5-[(cyclopropylamino)methyl]-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine (PubChem CID 114129282) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine
PubChem CID114129282
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name5-[(cyclopropylamino)methyl]-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine
SMILESCSCCCCCNc1nnc(CNC2CC2)o1
InChIInChI=1S/C12H22N4OS/c1-18-8-4-2-3-7-13-12-16-15-11(17-12)9-14-10-5-6-10/h10,14H,2-9H2,1H3,(H,13,16)
InChIKeyKWIDIOZMROAZIR-UHFFFAOYSA-N
XLogP2.27
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.27
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 5-[(cyclopropylamino)methyl]-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine (CID 114129282) is 5-[(cyclopropylamino)methyl]-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine is CSCCCCCNc1nnc(CNC2CC2)o1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is KWIDIOZMROAZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-18-8-4-2-3-7-13-12-16-15-11(17-12)9-14-10-5-6-10/h10,14H,2-9H2,1H3,(H,13,16).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 270.40 g/mol, XLogP of 2.27, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 114129282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).