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

C10H20N4OS — CID 106961324

IUPAC5-[(tert-butylamino)methyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
SMILESCSCCNc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C10H20N4OS/c1-10(2,3)12-7-8-13-14-9(15-8)11-5-6-16-4/h12H,5-7H2,1-4H3,(H,11,14)
InChIKeyWTWZJKQIYUOEHG-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.73
Rot. Bonds6

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

5-[(tert-butylamino)methyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106961324) has the molecular formula C10H20N4OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106961324
Molecular FormulaC10H20N4OS
Molecular Weight244.36 g/mol
Exact Mass244.14
IUPAC Name5-[(tert-butylamino)methyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
SMILESCSCCNc1nnc(CNC(C)(C)C)o1
InChIInChI=1S/C10H20N4OS/c1-10(2,3)12-7-8-13-14-9(15-8)11-5-6-16-4/h12H,5-7H2,1-4H3,(H,11,14)
InChIKeyWTWZJKQIYUOEHG-UHFFFAOYSA-N
XLogP1.73
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine (CID 106961324) is 5-[(tert-butylamino)methyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine is CSCCNc1nnc(CNC(C)(C)C)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is WTWZJKQIYUOEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS/c1-10(2,3)12-7-8-13-14-9(15-8)11-5-6-16-4/h12H,5-7H2,1-4H3,(H,11,14).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 244.36 g/mol, XLogP of 1.73, 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-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).