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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)-1,3,4-oxadiazol-2-amine
CID 114131451
5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)-1,3,4-oxadiazol-2-amine
CID 106965113
N-cyclopropyl-4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]butanamide
CID 106962873
5-[(cyclopropylamino)methyl]-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine
CID 114117627
5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965521
N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968561
5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106967429
5-[(cyclopropylamino)methyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106327738
5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine
CID 106969378
5-[(cyclopropylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964848
5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960369
5-[(cyclopropylamino)methyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960617

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).