5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine

C9H18N4OS — CID 106964860

IUPAC5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCSC(C)(C)CNc1nnc(C(C)N)o1
InChIInChI=1S/C9H18N4OS/c1-6(10)7-12-13-8(14-7)11-5-9(2,3)15-4/h6H,5,10H2,1-4H3,(H,11,13)
InChIKeyPHMCWIRXHHLTRJ-UHFFFAOYSA-N
MW230.34 g/mol
LogP1.64
Rot. Bonds5

About 5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine

5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106964860) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106964860
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC Name5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCSC(C)(C)CNc1nnc(C(C)N)o1
InChIInChI=1S/C9H18N4OS/c1-6(10)7-12-13-8(14-7)11-5-9(2,3)15-4/h6H,5,10H2,1-4H3,(H,11,13)
InChIKeyPHMCWIRXHHLTRJ-UHFFFAOYSA-N
XLogP1.64
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-aminoethyl)-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
CID 106961320
5-(1-aminoethyl)-N-(2,3-dimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106962258
5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960512
5-(1-aminoethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
CID 106966116
5-(1-aminoethyl)-N-(4-methylpentyl)-1,3,4-oxadiazol-2-amine
CID 106961130
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylacetamide
CID 106968768
5-(1-aminoethyl)-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 114004538
5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
CID 106967664
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide
CID 106969317
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N-ethylacetamide
CID 106969294
5-(1-aminoethyl)-N-(2-ethylhexyl)-1,3,4-oxadiazol-2-amine
CID 107819595
2-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343666

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine (CID 106964860) is 5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine is CSC(C)(C)CNc1nnc(C(C)N)o1.
What is the InChIKey of 5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is PHMCWIRXHHLTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-6(10)7-12-13-8(14-7)11-5-9(2,3)15-4/h6H,5,10H2,1-4H3,(H,11,13).
What are the key properties of 5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine?
5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 230.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).