5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine

C10H20N4OS — CID 106965523

IUPAC5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCCC(CSC)Nc1nnc(C(C)NC)o1
InChIInChI=1S/C10H20N4OS/c1-5-8(6-16-4)12-10-14-13-9(15-10)7(2)11-3/h7-8,11H,5-6H2,1-4H3,(H,12,14)
InChIKeyPPXAOOWCASDMAV-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.90
Rot. Bonds7

About 5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine

5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106965523) has the molecular formula C10H20N4OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106965523
Molecular FormulaC10H20N4OS
Molecular Weight244.36 g/mol
Exact Mass244.14
IUPAC Name5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCCC(CSC)Nc1nnc(C(C)NC)o1
InChIInChI=1S/C10H20N4OS/c1-5-8(6-16-4)12-10-14-13-9(15-10)7(2)11-3/h7-8,11H,5-6H2,1-4H3,(H,12,14)
InChIKeyPPXAOOWCASDMAV-UHFFFAOYSA-N
XLogP1.90
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
CID 106961321
5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
CID 106967664
5-(ethylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965526
N-(2,2-dimethylbutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961960
N-tert-butyl-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967549
5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965521
5-[1-(methylamino)ethyl]-N-[1-(oxan-4-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 114115371
5-[(2-methoxyethylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965524
N-(2-ethoxyethyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966005
5-[1-(methylamino)ethyl]-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
CID 106961131
N-(1-ethylcyclobutyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964708
N-(2,2-dimethylcyclopropyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970394

Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine (CID 106965523) is 5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine is CCC(CSC)Nc1nnc(C(C)NC)o1.
What is the InChIKey of 5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is PPXAOOWCASDMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS/c1-5-8(6-16-4)12-10-14-13-9(15-10)7(2)11-3/h7-8,11H,5-6H2,1-4H3,(H,12,14).
What are the key properties of 5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 244.36 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106965523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).