2-N-(thian-3-ylmethyl)-1,3,4-oxadiazole-2,5-diamine

C8H14N4OS — CID 130948207

IUPAC2-N-(thian-3-ylmethyl)-1,3,4-oxadiazole-2,5-diamine
SMILESNc1nnc(NCC2CCCSC2)o1
InChIInChI=1S/C8H14N4OS/c9-7-11-12-8(13-7)10-4-6-2-1-3-14-5-6/h6H,1-5H2,(H2,9,11)(H,10,12)
InChIKeyOHRLGSZMIQLGPB-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.21
Rot. Bonds3

About 2-N-(thian-3-ylmethyl)-1,3,4-oxadiazole-2,5-diamine

2-N-(thian-3-ylmethyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 130948207) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-N-(thian-3-ylmethyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(thian-3-ylmethyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID130948207
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name2-N-(thian-3-ylmethyl)-1,3,4-oxadiazole-2,5-diamine
SMILESNc1nnc(NCC2CCCSC2)o1
InChIInChI=1S/C8H14N4OS/c9-7-11-12-8(13-7)10-4-6-2-1-3-14-5-6/h6H,1-5H2,(H2,9,11)(H,10,12)
InChIKeyOHRLGSZMIQLGPB-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(thian-4-ylmethyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437312
5-(aminomethyl)-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964738
N-(cyclobutylmethyl)-5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-amine
CID 166241934
2-N-(2-cyclopentyloxyethyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437043
5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine
CID 130956227
1-methyl-N-(thiolan-3-ylmethyl)tetrazol-5-amine
CID 107296847
2-N-(thiolan-3-ylmethyl)pyrimidine-2,5-diamine
CID 107294936
5-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 28780022
4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine
CID 117106269
N-(cyclohexylmethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968919
5-phenyl-N-(thian-3-ylmethyl)pyrazin-2-amine
CID 166225530
6-(thian-3-ylmethyl)pyridazine-3,4-diamine
CID 117106261

Frequently Asked Questions

What is the IUPAC name of 2-N-(thian-3-ylmethyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(thian-3-ylmethyl)-1,3,4-oxadiazole-2,5-diamine (CID 130948207) is 2-N-(thian-3-ylmethyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(thian-3-ylmethyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(thian-3-ylmethyl)-1,3,4-oxadiazole-2,5-diamine is Nc1nnc(NCC2CCCSC2)o1.
What is the InChIKey of 2-N-(thian-3-ylmethyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is OHRLGSZMIQLGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c9-7-11-12-8(13-7)10-4-6-2-1-3-14-5-6/h6H,1-5H2,(H2,9,11)(H,10,12).
What are the key properties of 2-N-(thian-3-ylmethyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(thian-3-ylmethyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 214.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(thian-3-ylmethyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 130948207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).