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

C9H11N3OS — CID 130626902

IUPAC[5-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1ccc(Cc2nc(CN)no2)s1
InChIInChI=1S/C9H11N3OS/c1-6-2-3-7(14-6)4-9-11-8(5-10)12-13-9/h2-3H,4-5,10H2,1H3
InChIKeyFRNNZKWQADIWQL-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.49
Rot. Bonds3

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

[5-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 130626902) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is [5-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID130626902
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name[5-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1ccc(Cc2nc(CN)no2)s1
InChIInChI=1S/C9H11N3OS/c1-6-2-3-7(14-6)4-9-11-8(5-10)12-13-9/h2-3H,4-5,10H2,1H3
InChIKeyFRNNZKWQADIWQL-UHFFFAOYSA-N
XLogP1.49
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine with MolForge

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Related Compounds

[3-[[methyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751743
[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 62504146
[5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 121210194
[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81318498
2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62330251
4-[[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 62798238
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334308
[2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81318061
3-(methylsulfanylmethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazole
CID 72846179
2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336070
3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079621
2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81073324

Frequently Asked Questions

What is the IUPAC name of [5-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine (CID 130626902) is [5-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine is Cc1ccc(Cc2nc(CN)no2)s1.
What is the InChIKey of [5-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is FRNNZKWQADIWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-6-2-3-7(14-6)4-9-11-8(5-10)12-13-9/h2-3H,4-5,10H2,1H3.
What are the key properties of [5-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 209.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-methylthiophen-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 130626902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).