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

C13H24N4OS — CID 106963576

IUPACN-[(2-methylthiolan-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCC2(C)CCCS2)o1
InChIInChI=1S/C13H24N4OS/c1-4-7-14-10(2)11-16-17-12(18-11)15-9-13(3)6-5-8-19-13/h10,14H,4-9H2,1-3H3,(H,15,17)
InChIKeyMLNJSSORNNDJME-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.83
Rot. Bonds7

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

N-[(2-methylthiolan-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106963576) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106963576
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCC2(C)CCCS2)o1
InChIInChI=1S/C13H24N4OS/c1-4-7-14-10(2)11-16-17-12(18-11)15-9-13(3)6-5-8-19-13/h10,14H,4-9H2,1-3H3,(H,15,17)
InChIKeyMLNJSSORNNDJME-UHFFFAOYSA-N
XLogP2.83
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2-methylthiolan-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106963576) is N-[(2-methylthiolan-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(NCC2(C)CCCS2)o1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is MLNJSSORNNDJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-4-7-14-10(2)11-16-17-12(18-11)15-9-13(3)6-5-8-19-13/h10,14H,4-9H2,1-3H3,(H,15,17).
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-[(2-methylthiolan-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 284.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).