5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine

C10H14N4OS — CID 106963020

IUPAC5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCN(CCc1cccs1)c1nnc(CN)o1
InChIInChI=1S/C10H14N4OS/c1-14(5-4-8-3-2-6-16-8)10-13-12-9(7-11)15-10/h2-3,6H,4-5,7,11H2,1H3
InChIKeyFETRJPXEVNXFGF-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.27
Rot. Bonds5

About 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106963020) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106963020
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESCN(CCc1cccs1)c1nnc(CN)o1
InChIInChI=1S/C10H14N4OS/c1-14(5-4-8-3-2-6-16-8)10-13-12-9(7-11)15-10/h2-3,6H,4-5,7,11H2,1H3
InChIKeyFETRJPXEVNXFGF-UHFFFAOYSA-N
XLogP1.27
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470640
4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine
CID 79470373
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine
CID 79470815
4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470037
4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79493669
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide
CID 113320985
6-N-methyl-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine
CID 80652044
5-(aminomethyl)-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963296
2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 114016664
2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 79475919
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 115366924

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine (CID 106963020) is 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine is CN(CCc1cccs1)c1nnc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is FETRJPXEVNXFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-14(5-4-8-3-2-6-16-8)10-13-12-9(7-11)15-10/h2-3,6H,4-5,7,11H2,1H3.
What are the key properties of 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 238.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).