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

C7H12N4OS — CID 130909260

IUPAC2-N-(2,2-dimethylthietan-3-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCC1(C)SCC1Nc1nnc(N)o1
InChIInChI=1S/C7H12N4OS/c1-7(2)4(3-13-7)9-6-11-10-5(8)12-6/h4H,3H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyYLVBDGXOKKLKNL-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.96
Rot. Bonds2

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

2-N-(2,2-dimethylthietan-3-yl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 130909260) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-N-(2,2-dimethylthietan-3-yl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethylthietan-3-yl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID130909260
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name2-N-(2,2-dimethylthietan-3-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCC1(C)SCC1Nc1nnc(N)o1
InChIInChI=1S/C7H12N4OS/c1-7(2)4(3-13-7)9-6-11-10-5(8)12-6/h4H,3H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyYLVBDGXOKKLKNL-UHFFFAOYSA-N
XLogP0.96
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethylthietan-3-yl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(2,2-dimethylthietan-3-yl)-1,3,4-oxadiazole-2,5-diamine (CID 130909260) is 2-N-(2,2-dimethylthietan-3-yl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2,2-dimethylthietan-3-yl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(2,2-dimethylthietan-3-yl)-1,3,4-oxadiazole-2,5-diamine is CC1(C)SCC1Nc1nnc(N)o1.
What is the InChIKey of 2-N-(2,2-dimethylthietan-3-yl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is YLVBDGXOKKLKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-7(2)4(3-13-7)9-6-11-10-5(8)12-6/h4H,3H2,1-2H3,(H2,8,10)(H,9,11).
What are the key properties of 2-N-(2,2-dimethylthietan-3-yl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(2,2-dimethylthietan-3-yl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 200.27 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethylthietan-3-yl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 130909260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).