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

C7H12N4OS — CID 103436633

IUPAC2-N-methyl-2-N-(thiolan-3-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCN(c1nnc(N)o1)C1CCSC1
InChIInChI=1S/C7H12N4OS/c1-11(5-2-3-13-4-5)7-10-9-6(8)12-7/h5H,2-4H2,1H3,(H2,8,9)
InChIKeyGPOHIMMAXVYIAT-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.59
Rot. Bonds2

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

2-N-methyl-2-N-(thiolan-3-yl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436633) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-N-methyl-2-N-(thiolan-3-yl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(thiolan-3-yl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436633
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name2-N-methyl-2-N-(thiolan-3-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCN(c1nnc(N)o1)C1CCSC1
InChIInChI=1S/C7H12N4OS/c1-11(5-2-3-13-4-5)7-10-9-6(8)12-7/h5H,2-4H2,1H3,(H2,8,9)
InChIKeyGPOHIMMAXVYIAT-UHFFFAOYSA-N
XLogP0.59
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(thiolan-3-yl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-methyl-2-N-(thiolan-3-yl)-1,3,4-oxadiazole-2,5-diamine (CID 103436633) is 2-N-methyl-2-N-(thiolan-3-yl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(thiolan-3-yl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-methyl-2-N-(thiolan-3-yl)-1,3,4-oxadiazole-2,5-diamine is CN(c1nnc(N)o1)C1CCSC1.
What is the InChIKey of 2-N-methyl-2-N-(thiolan-3-yl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is GPOHIMMAXVYIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-11(5-2-3-13-4-5)7-10-9-6(8)12-7/h5H,2-4H2,1H3,(H2,8,9).
What are the key properties of 2-N-methyl-2-N-(thiolan-3-yl)-1,3,4-oxadiazole-2,5-diamine?
2-N-methyl-2-N-(thiolan-3-yl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 200.27 g/mol, XLogP of 0.59, 2 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-(thiolan-3-yl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).