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

C13H26N4OS — CID 106964208

IUPACN-methyl-N-(1-methylsulfanylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(N(C)C(CC)CSC)o1
InChIInChI=1S/C13H26N4OS/c1-6-8-14-10(3)12-15-16-13(18-12)17(4)11(7-2)9-19-5/h10-11,14H,6-9H2,1-5H3
InChIKeyZBGMSSNKURUBBW-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.71
Rot. Bonds9

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

N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106964208) has the molecular formula C13H26N4OS and a molecular weight of 286.44 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106964208
Molecular FormulaC13H26N4OS
Molecular Weight286.44 g/mol
Exact Mass286.18
IUPAC NameN-methyl-N-(1-methylsulfanylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(N(C)C(CC)CSC)o1
InChIInChI=1S/C13H26N4OS/c1-6-8-14-10(3)12-15-16-13(18-12)17(4)11(7-2)9-19-5/h10-11,14H,6-9H2,1-5H3
InChIKeyZBGMSSNKURUBBW-UHFFFAOYSA-N
XLogP2.71
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969331
5-[(tert-butylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964210
2-[ethyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide
CID 106971179
N-cycloheptyl-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969352
5-(2-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964204
N,2-dimethyl-3-[methyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106967445
N-ethyl-N-(1-methoxypropan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969951
2-[methyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]cyclohexan-1-ol
CID 106965820
N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959782
5-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106964244
N-cyclopropyl-2-[methyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106971142
1-[[methyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]cyclopentan-1-ol
CID 106965603

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106964208) is N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(N(C)C(CC)CSC)o1.
What is the InChIKey of N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ZBGMSSNKURUBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4OS/c1-6-8-14-10(3)12-15-16-13(18-12)17(4)11(7-2)9-19-5/h10-11,14H,6-9H2,1-5H3.
What are the key properties of N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 286.44 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).