5-[(tert-butylamino)methyl]-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine

C12H24N4OS — CID 106964863

IUPAC5-[(tert-butylamino)methyl]-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCSC(C)(C)CNc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C12H24N4OS/c1-11(2,3)14-7-9-15-16-10(17-9)13-8-12(4,5)18-6/h14H,7-8H2,1-6H3,(H,13,16)
InChIKeyJLYNNEOYCRMEBN-UHFFFAOYSA-N
MW272.42 g/mol
LogP2.51
Rot. Bonds6

About 5-[(tert-butylamino)methyl]-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine

5-[(tert-butylamino)methyl]-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106964863) has the molecular formula C12H24N4OS and a molecular weight of 272.42 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106964863
Molecular FormulaC12H24N4OS
Molecular Weight272.42 g/mol
Exact Mass272.17
IUPAC Name5-[(tert-butylamino)methyl]-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCSC(C)(C)CNc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C12H24N4OS/c1-11(2,3)14-7-9-15-16-10(17-9)13-8-12(4,5)18-6/h14H,7-8H2,1-6H3,(H,13,16)
InChIKeyJLYNNEOYCRMEBN-UHFFFAOYSA-N
XLogP2.51
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine (CID 106964863) is 5-[(tert-butylamino)methyl]-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine is CSC(C)(C)CNc1nnc(CNC(C)(C)C)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is JLYNNEOYCRMEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4OS/c1-11(2,3)14-7-9-15-16-10(17-9)13-8-12(4,5)18-6/h14H,7-8H2,1-6H3,(H,13,16).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 272.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).