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

C12H20N4OS — CID 114117627

IUPAC5-[(cyclopropylamino)methyl]-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCSC1(CNc2nnc(CNC3CC3)o2)CCC1
InChIInChI=1S/C12H20N4OS/c1-18-12(5-2-6-12)8-14-11-16-15-10(17-11)7-13-9-3-4-9/h9,13H,2-8H2,1H3,(H,14,16)
InChIKeyQGMAQQXFHOEZTG-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.02
Rot. Bonds7

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

5-[(cyclopropylamino)methyl]-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 114117627) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID114117627
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name5-[(cyclopropylamino)methyl]-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCSC1(CNc2nnc(CNC3CC3)o2)CCC1
InChIInChI=1S/C12H20N4OS/c1-18-12(5-2-6-12)8-14-11-16-15-10(17-11)7-13-9-3-4-9/h9,13H,2-8H2,1H3,(H,14,16)
InChIKeyQGMAQQXFHOEZTG-UHFFFAOYSA-N
XLogP2.02
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine
CID 114129282
5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)-1,3,4-oxadiazol-2-amine
CID 106965113
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-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964848
5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965521
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)acetamide
CID 106964518
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
5-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)-1,3,4-oxadiazol-2-amine
CID 114131451
5-[(cyclopropylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962278
3-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,2,2-trimethylpropanamide
CID 106281003

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine (CID 114117627) is 5-[(cyclopropylamino)methyl]-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine is CSC1(CNc2nnc(CNC3CC3)o2)CCC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QGMAQQXFHOEZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-18-12(5-2-6-12)8-14-11-16-15-10(17-11)7-13-9-3-4-9/h9,13H,2-8H2,1H3,(H,14,16).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 268.39 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-[(1-methylsulfanylcyclobutyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 114117627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).