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

C11H20N4OS — CID 106965521

IUPAC5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCCC(CSC)Nc1nnc(CNC2CC2)o1
InChIInChI=1S/C11H20N4OS/c1-3-8(7-17-2)13-11-15-14-10(16-11)6-12-9-4-5-9/h8-9,12H,3-7H2,1-2H3,(H,13,15)
InChIKeyDNADOTJHVCCVGB-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.88
Rot. Bonds8

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

5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106965521) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106965521
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCCC(CSC)Nc1nnc(CNC2CC2)o1
InChIInChI=1S/C11H20N4OS/c1-3-8(7-17-2)13-11-15-14-10(16-11)6-12-9-4-5-9/h8-9,12H,3-7H2,1-2H3,(H,13,15)
InChIKeyDNADOTJHVCCVGB-UHFFFAOYSA-N
XLogP1.88
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
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

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine (CID 106965521) is 5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine is CCC(CSC)Nc1nnc(CNC2CC2)o1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is DNADOTJHVCCVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-3-8(7-17-2)13-11-15-14-10(16-11)6-12-9-4-5-9/h8-9,12H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 256.37 g/mol, XLogP of 1.88, 8 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-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106965521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).