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

C10H20N4OS — CID 106964204

IUPAC5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCCC(CSC)N(C)c1nnc(CCN)o1
InChIInChI=1S/C10H20N4OS/c1-4-8(7-16-3)14(2)10-13-12-9(15-10)5-6-11/h8H,4-7,11H2,1-3H3
InChIKeyMXUQYOWZBNQOEZ-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.15
Rot. Bonds7

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

5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106964204) has the molecular formula C10H20N4OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106964204
Molecular FormulaC10H20N4OS
Molecular Weight244.36 g/mol
Exact Mass244.14
IUPAC Name5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCCC(CSC)N(C)c1nnc(CCN)o1
InChIInChI=1S/C10H20N4OS/c1-4-8(7-16-3)14(2)10-13-12-9(15-10)5-6-11/h8H,4-7,11H2,1-3H3
InChIKeyMXUQYOWZBNQOEZ-UHFFFAOYSA-N
XLogP1.15
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine
CID 105829137
5-(2-aminoethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-1,3,4-oxadiazol-2-amine
CID 105829175
5-(2-aminoethyl)-N-(2-methylsulfanylcyclopentyl)-1,3,4-oxadiazol-2-amine
CID 105866520
5-(2-aminoethyl)-N-(2-ethylsulfanylcyclopentyl)-1,3,4-oxadiazol-2-amine
CID 105866533
5-(2-aminoethyl)-N-(2-methylsulfanylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 105883381
5-(2-aminoethyl)-N-(4-methylsulfanylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 105883393
5-(2-aminoethyl)-N-(3-methylsulfanylcyclopentyl)-1,3,4-oxadiazol-2-amine
CID 105883411
5-(2-aminoethyl)-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine
CID 105923824
5-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106959523
5-(2-aminoethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 106959707
2-[5-(1,4-Thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106959975
1-[5-(1,4-Thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106959977

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine (CID 106964204) is 5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine is CCC(CSC)N(C)c1nnc(CCN)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MXUQYOWZBNQOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS/c1-4-8(7-16-3)14(2)10-13-12-9(15-10)5-6-11/h8H,4-7,11H2,1-3H3.
What are the key properties of 5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 244.36 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).