5-(propylaminomethyl)-N-(thian-3-yl)-1,3,4-oxadiazol-2-amine

C11H20N4OS — CID 106965479

IUPAC5-(propylaminomethyl)-N-(thian-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NC2CCCSC2)o1
InChIInChI=1S/C11H20N4OS/c1-2-5-12-7-10-14-15-11(16-10)13-9-4-3-6-17-8-9/h9,12H,2-8H2,1H3,(H,13,15)
InChIKeyGOIPSQYKUMCXBT-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.88
Rot. Bonds6

About 5-(propylaminomethyl)-N-(thian-3-yl)-1,3,4-oxadiazol-2-amine

5-(propylaminomethyl)-N-(thian-3-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106965479) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-(propylaminomethyl)-N-(thian-3-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(propylaminomethyl)-N-(thian-3-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106965479
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name5-(propylaminomethyl)-N-(thian-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(NC2CCCSC2)o1
InChIInChI=1S/C11H20N4OS/c1-2-5-12-7-10-14-15-11(16-10)13-9-4-3-6-17-8-9/h9,12H,2-8H2,1H3,(H,13,15)
InChIKeyGOIPSQYKUMCXBT-UHFFFAOYSA-N
XLogP1.88
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(propylaminomethyl)-N-(thian-3-yl)-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

4-[[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
CID 106199225
N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967300
N-[(4-methylcyclohexyl)methyl]-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960948
N-(3-cyclopentylpropyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106015746
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62139591
N-(3,4-dihydro-2H-chromen-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960743
N-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960664
N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968561
N-(3,4-dimethylcyclohexyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106962075
2-bromo-5-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081454
5-[(2-methoxyethylamino)methyl]-N-(3-methylcyclobutyl)-1,3,4-oxadiazol-2-amine
CID 106964977
2-methyl-5-(propylaminomethyl)-N-(thian-3-yl)furan-3-sulfonamide
CID 106081609

Frequently Asked Questions

What is the IUPAC name of 5-(propylaminomethyl)-N-(thian-3-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(propylaminomethyl)-N-(thian-3-yl)-1,3,4-oxadiazol-2-amine (CID 106965479) is 5-(propylaminomethyl)-N-(thian-3-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(propylaminomethyl)-N-(thian-3-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(propylaminomethyl)-N-(thian-3-yl)-1,3,4-oxadiazol-2-amine is CCCNCc1nnc(NC2CCCSC2)o1.
What is the InChIKey of 5-(propylaminomethyl)-N-(thian-3-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GOIPSQYKUMCXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-2-5-12-7-10-14-15-11(16-10)13-9-4-3-6-17-8-9/h9,12H,2-8H2,1H3,(H,13,15).
What are the key properties of 5-(propylaminomethyl)-N-(thian-3-yl)-1,3,4-oxadiazol-2-amine?
5-(propylaminomethyl)-N-(thian-3-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 256.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylaminomethyl)-N-(thian-3-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106965479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).