5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine

C11H22N4O2S — CID 106964246

IUPAC5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(N(C)C(C)CSC)o1
InChIInChI=1S/C11H22N4O2S/c1-9(8-18-4)15(2)11-14-13-10(17-11)7-12-5-6-16-3/h9,12H,5-8H2,1-4H3
InChIKeyVSHHHGVNBHNMQN-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.99
Rot. Bonds9

About 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine

5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106964246) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106964246
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(N(C)C(C)CSC)o1
InChIInChI=1S/C11H22N4O2S/c1-9(8-18-4)15(2)11-14-13-10(17-11)7-12-5-6-16-3/h9,12H,5-8H2,1-4H3
InChIKeyVSHHHGVNBHNMQN-UHFFFAOYSA-N
XLogP0.99
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methoxyethylamino)methyl]-N-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 106967784
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106963014
5-[(2-methoxyethylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965524
2-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]ethanol
CID 106960024
N-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968636
N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966919
N-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970430
2-[2-methoxyethyl-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethanol
CID 106964675
5-[[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-methylamino]pentan-1-ol
CID 107207682
N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106961211
5-[(2-methoxyethylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106969915
4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 115986356

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine (CID 106964246) is 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine is COCCNCc1nnc(N(C)C(C)CSC)o1.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is VSHHHGVNBHNMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-9(8-18-4)15(2)11-14-13-10(17-11)7-12-5-6-16-3/h9,12H,5-8H2,1-4H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 274.39 g/mol, XLogP of 0.99, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).