N-[[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine

C8H11N5OS — CID 65199035

IUPACN-[[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(-c2snnc2C)n1
InChIInChI=1S/C8H11N5OS/c1-3-9-4-6-10-8(14-12-6)7-5(2)11-13-15-7/h9H,3-4H2,1-2H3
InChIKeyYCGNFMIMBDTTKN-UHFFFAOYSA-N
MW225.28 g/mol
LogP1.01
Rot. Bonds4

About N-[[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine

N-[[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (PubChem CID 65199035) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is N-[[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
PubChem CID65199035
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC NameN-[[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(-c2snnc2C)n1
InChIInChI=1S/C8H11N5OS/c1-3-9-4-6-10-8(14-12-6)7-5(2)11-13-15-7/h9H,3-4H2,1-2H3
InChIKeyYCGNFMIMBDTTKN-UHFFFAOYSA-N
XLogP1.01
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (CID 65199035) is N-[[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is CCNCc1noc(-c2snnc2C)n1.
What is the InChIKey of N-[[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The InChIKey is YCGNFMIMBDTTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c1-3-9-4-6-10-8(14-12-6)7-5(2)11-13-15-7/h9H,3-4H2,1-2H3.
What are the key properties of N-[[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
N-[[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine has a molecular weight of 225.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 65199035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).