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

C7H14N4OS — CID 103437322

IUPAC2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCSC(C)(C)CNc1nnc(N)o1
InChIInChI=1S/C7H14N4OS/c1-7(2,13-3)4-9-6-11-10-5(8)12-6/h4H2,1-3H3,(H2,8,10)(H,9,11)
InChIKeyHCFCZRYPZFIFBW-UHFFFAOYSA-N
MW202.28 g/mol
LogP1.21
Rot. Bonds4

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

2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437322) has the molecular formula C7H14N4OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437322
Molecular FormulaC7H14N4OS
Molecular Weight202.28 g/mol
Exact Mass202.09
IUPAC Name2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCSC(C)(C)CNc1nnc(N)o1
InChIInChI=1S/C7H14N4OS/c1-7(2,13-3)4-9-6-11-10-5(8)12-6/h4H2,1-3H3,(H2,8,10)(H,9,11)
InChIKeyHCFCZRYPZFIFBW-UHFFFAOYSA-N
XLogP1.21
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-propyl-1,3,4-oxadiazole-2,5-diamine
CID 55290531
2-N-butyl-1,3,4-oxadiazole-2,5-diamine
CID 102376399
2-N-(2,2-dimethylpropyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436714
2-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436768
2-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437028
2-N-(3-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437060
2-N-(2-methyl-2-methylsulfonylpropyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437150
2-N-methyl-2-N-(2-methylsulfanylethyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437263
2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437265
2-N-methyl-2-N-(1-methylsulfanylpropan-2-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437268
2-N-(3-methylsulfinylbutyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437297
2-N-(4-methylsulfanylbutyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437299

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine (CID 103437322) is 2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine is CSC(C)(C)CNc1nnc(N)o1.
What is the InChIKey of 2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is HCFCZRYPZFIFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4OS/c1-7(2,13-3)4-9-6-11-10-5(8)12-6/h4H2,1-3H3,(H2,8,10)(H,9,11).
What are the key properties of 2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 202.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methyl-2-methylsulfanylpropyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).