2-N-[(2-methylthiolan-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine

C8H14N4OS — CID 103437214

IUPAC2-N-[(2-methylthiolan-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine
SMILESCC1(CNc2nnc(N)o2)CCCS1
InChIInChI=1S/C8H14N4OS/c1-8(3-2-4-14-8)5-10-7-12-11-6(9)13-7/h2-5H2,1H3,(H2,9,11)(H,10,12)
InChIKeyDBQXLEUIOZOCTA-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.35
Rot. Bonds3

About 2-N-[(2-methylthiolan-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine

2-N-[(2-methylthiolan-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437214) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-N-[(2-methylthiolan-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[(2-methylthiolan-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437214
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name2-N-[(2-methylthiolan-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine
SMILESCC1(CNc2nnc(N)o2)CCCS1
InChIInChI=1S/C8H14N4OS/c1-8(3-2-4-14-8)5-10-7-12-11-6(9)13-7/h2-5H2,1H3,(H2,9,11)(H,10,12)
InChIKeyDBQXLEUIOZOCTA-UHFFFAOYSA-N
XLogP1.35
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methylthiolan-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-[(2-methylthiolan-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine (CID 103437214) is 2-N-[(2-methylthiolan-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-[(2-methylthiolan-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-[(2-methylthiolan-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine is CC1(CNc2nnc(N)o2)CCCS1.
What is the InChIKey of 2-N-[(2-methylthiolan-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is DBQXLEUIOZOCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-8(3-2-4-14-8)5-10-7-12-11-6(9)13-7/h2-5H2,1H3,(H2,9,11)(H,10,12).
What are the key properties of 2-N-[(2-methylthiolan-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine?
2-N-[(2-methylthiolan-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 214.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methylthiolan-2-yl)methyl]-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).