5-[1-(methylamino)ethyl]-N-thiophen-3-yl-1,3,4-oxadiazol-2-amine

C9H12N4OS — CID 106962724

IUPAC5-[1-(methylamino)ethyl]-N-thiophen-3-yl-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(Nc2ccsc2)o1
InChIInChI=1S/C9H12N4OS/c1-6(10-2)8-12-13-9(14-8)11-7-3-4-15-5-7/h3-6,10H,1-2H3,(H,11,13)
InChIKeyXRDVKHRXFCAYCA-UHFFFAOYSA-N
MW224.29 g/mol
LogP2.16
Rot. Bonds4

About 5-[1-(methylamino)ethyl]-N-thiophen-3-yl-1,3,4-oxadiazol-2-amine

5-[1-(methylamino)ethyl]-N-thiophen-3-yl-1,3,4-oxadiazol-2-amine (PubChem CID 106962724) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 5-[1-(methylamino)ethyl]-N-thiophen-3-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(methylamino)ethyl]-N-thiophen-3-yl-1,3,4-oxadiazol-2-amine
PubChem CID106962724
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name5-[1-(methylamino)ethyl]-N-thiophen-3-yl-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(Nc2ccsc2)o1
InChIInChI=1S/C9H12N4OS/c1-6(10-2)8-12-13-9(14-8)11-7-3-4-15-5-7/h3-6,10H,1-2H3,(H,11,13)
InChIKeyXRDVKHRXFCAYCA-UHFFFAOYSA-N
XLogP2.16
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966724
N-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106959404
N-(3-ethylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968322
N-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966965
N-(3-bromo-5-methoxyphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106963987
N-(2-chloro-5-fluorophenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 107532092
5-(1-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106957574
N-(2,5-difluoro-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967362
1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 80642159
5-[1-(methylamino)ethyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968333
5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106959383
N-methyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 63022883

Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylamino)ethyl]-N-thiophen-3-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(methylamino)ethyl]-N-thiophen-3-yl-1,3,4-oxadiazol-2-amine (CID 106962724) is 5-[1-(methylamino)ethyl]-N-thiophen-3-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(methylamino)ethyl]-N-thiophen-3-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(methylamino)ethyl]-N-thiophen-3-yl-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(Nc2ccsc2)o1.
What is the InChIKey of 5-[1-(methylamino)ethyl]-N-thiophen-3-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is XRDVKHRXFCAYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-6(10-2)8-12-13-9(14-8)11-7-3-4-15-5-7/h3-6,10H,1-2H3,(H,11,13).
What are the key properties of 5-[1-(methylamino)ethyl]-N-thiophen-3-yl-1,3,4-oxadiazol-2-amine?
5-[1-(methylamino)ethyl]-N-thiophen-3-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 224.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methylamino)ethyl]-N-thiophen-3-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).