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

C7H9N5OS — CID 65207516

IUPAC[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCCc1nnsc1-c1nc(CN)no1
InChIInChI=1S/C7H9N5OS/c1-2-4-6(14-12-10-4)7-9-5(3-8)11-13-7/h2-3,8H2,1H3
InChIKeyXQBCTMXPXGMMJM-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.61
Rot. Bonds3

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

[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 65207516) has the molecular formula C7H9N5OS and a molecular weight of 211.25 g/mol. Its IUPAC name is [5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID65207516
Molecular FormulaC7H9N5OS
Molecular Weight211.25 g/mol
Exact Mass211.05
IUPAC Name[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCCc1nnsc1-c1nc(CN)no1
InChIInChI=1S/C7H9N5OS/c1-2-4-6(14-12-10-4)7-9-5(3-8)11-13-7/h2-3,8H2,1H3
InChIKeyXQBCTMXPXGMMJM-UHFFFAOYSA-N
XLogP0.61
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 65207878
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866179
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 65207366
3-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 65210064
1-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-pyrrolidin-1-ylethanamine
CID 104635759
1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 65207667
1-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096276
N-[[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 65206379
N-[[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 65207621
1-propoxy-2-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104637010
N-methyl-2-[5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 65206378
5-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine
CID 30029519

Frequently Asked Questions

What is the IUPAC name of [5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 65207516) is [5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine is CCc1nnsc1-c1nc(CN)no1.
What is the InChIKey of [5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is XQBCTMXPXGMMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5OS/c1-2-4-6(14-12-10-4)7-9-5(3-8)11-13-7/h2-3,8H2,1H3.
What are the key properties of [5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 211.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 65207516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).