2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine

C7H14N4OS — CID 103437268

IUPAC2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCSCC(C)N(C)c1nnc(N)o1
InChIInChI=1S/C7H14N4OS/c1-5(4-13-3)11(2)7-10-9-6(8)12-7/h5H,4H2,1-3H3,(H2,8,9)
InChIKeyMPLODVMAUVGAKO-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.84
Rot. Bonds4

About 2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine

2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437268) has the molecular formula C7H14N4OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437268
Molecular FormulaC7H14N4OS
Molecular Weight202.28 g/mol
Exact Mass202.09
IUPAC Name2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCSCC(C)N(C)c1nnc(N)o1
InChIInChI=1S/C7H14N4OS/c1-5(4-13-3)11(2)7-10-9-6(8)12-7/h5H,4H2,1-3H3,(H2,8,9)
InChIKeyMPLODVMAUVGAKO-UHFFFAOYSA-N
XLogP0.84
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine 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 2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine (CID 103437268) is 2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine is CSCC(C)N(C)c1nnc(N)o1.
What is the InChIKey of 2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is MPLODVMAUVGAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4OS/c1-5(4-13-3)11(2)7-10-9-6(8)12-7/h5H,4H2,1-3H3,(H2,8,9).
What are the key properties of 2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 202.28 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).