[5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine

C7H9N5O2S — CID 102629966

IUPAC[5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESCc1nonc1CSc1nnc(CN)o1
InChIInChI=1S/C7H9N5O2S/c1-4-5(12-14-11-4)3-15-7-10-9-6(2-8)13-7/h2-3,8H2,1H3
InChIKeyYMHJNDWYHOMSTF-UHFFFAOYSA-N
MW227.25 g/mol
LogP0.51
Rot. Bonds4

About [5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine

[5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102629966) has the molecular formula C7H9N5O2S and a molecular weight of 227.25 g/mol. Its IUPAC name is [5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102629966
Molecular FormulaC7H9N5O2S
Molecular Weight227.25 g/mol
Exact Mass227.05
IUPAC Name[5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESCc1nonc1CSc1nnc(CN)o1
InChIInChI=1S/C7H9N5O2S/c1-4-5(12-14-11-4)3-15-7-10-9-6(2-8)13-7/h2-3,8H2,1H3
InChIKeyYMHJNDWYHOMSTF-UHFFFAOYSA-N
XLogP0.51
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine with MolForge

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Related Compounds

[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629829
[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630041
2-[3-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-4-yl]ethanamine
CID 65298973
[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine
CID 66354939
6-methyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]pyrimidin-4-amine
CID 78961995
[5-(1,2,4-oxadiazol-5-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630195
[5-[(3,5-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629854
[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630364
[5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630421
[5-(2-methylidenebutylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630539
[5-(2-methoxypropylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630737
[5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630416

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (CID 102629966) is [5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is Cc1nonc1CSc1nnc(CN)o1.
What is the InChIKey of [5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is YMHJNDWYHOMSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2S/c1-4-5(12-14-11-4)3-15-7-10-9-6(2-8)13-7/h2-3,8H2,1H3.
What are the key properties of [5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
[5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 227.25 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102629966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).