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

C7H9N5O2S — CID 102630041

IUPAC[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESCc1noc(CSc2nnc(CN)o2)n1
InChIInChI=1S/C7H9N5O2S/c1-4-9-6(14-12-4)3-15-7-11-10-5(2-8)13-7/h2-3,8H2,1H3
InChIKeyDLWOSEDIQKYDQV-UHFFFAOYSA-N
MW227.25 g/mol
LogP0.51
Rot. Bonds4

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

[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102630041) has the molecular formula C7H9N5O2S and a molecular weight of 227.25 g/mol. Its IUPAC name is [5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102630041
Molecular FormulaC7H9N5O2S
Molecular Weight227.25 g/mol
Exact Mass227.05
IUPAC Name[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESCc1noc(CSc2nnc(CN)o2)n1
InChIInChI=1S/C7H9N5O2S/c1-4-9-6(14-12-4)3-15-7-11-10-5(2-8)13-7/h2-3,8H2,1H3
InChIKeyDLWOSEDIQKYDQV-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-[(3-methyl-1,2,4-oxadiazol-5-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-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630271
[5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629966
[5-(1,2,4-oxadiazol-5-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630195
5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 28782716
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 37286339
2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 18129305
[5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630553
[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
2-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(methylsulfanylmethyl)-1,3,4-oxadiazole
CID 71860539

Frequently Asked Questions

What is the IUPAC name of [5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (CID 102630041) is [5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is Cc1noc(CSc2nnc(CN)o2)n1.
What is the InChIKey of [5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is DLWOSEDIQKYDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2S/c1-4-9-6(14-12-4)3-15-7-11-10-5(2-8)13-7/h2-3,8H2,1H3.
What are the key properties of [5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
[5-[(3-methyl-1,2,4-oxadiazol-5-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-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102630041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).