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

C8H11N5OS — CID 65198819

IUPACN-methyl-2-[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNCCc1nnc(-c2snnc2C)o1
InChIInChI=1S/C8H11N5OS/c1-5-7(15-13-10-5)8-12-11-6(14-8)3-4-9-2/h9H,3-4H2,1-2H3
InChIKeyJNYYKMSZJCYYLU-UHFFFAOYSA-N
MW225.28 g/mol
LogP0.66
Rot. Bonds4

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

N-methyl-2-[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 65198819) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is N-methyl-2-[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID65198819
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC NameN-methyl-2-[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNCCc1nnc(-c2snnc2C)o1
InChIInChI=1S/C8H11N5OS/c1-5-7(15-13-10-5)8-12-11-6(14-8)3-4-9-2/h9H,3-4H2,1-2H3
InChIKeyJNYYKMSZJCYYLU-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 65198741
2-[5-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 114026388
2-[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162897
2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071809
2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55044345
2-[5-(2-chlorofuran-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 106689618
2-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55043972
N-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62164813
3-[5-(4-tert-butylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65207376
3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55039266
2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162541
2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164297

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 65198819) is N-methyl-2-[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CNCCc1nnc(-c2snnc2C)o1.
What is the InChIKey of N-methyl-2-[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is JNYYKMSZJCYYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c1-5-7(15-13-10-5)8-12-11-6(14-8)3-4-9-2/h9H,3-4H2,1-2H3.
What are the key properties of N-methyl-2-[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-methyl-2-[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 225.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(4-methylthiadiazol-5-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 65198819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).