5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine

C7H7N3OS — CID 63692065

IUPAC5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(Cc2cccs2)n1
InChIInChI=1S/C7H7N3OS/c8-7-9-6(11-10-7)4-5-2-1-3-12-5/h1-3H,4H2,(H2,8,10)
InChIKeyNSAXGXPJXNMKDS-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.30
Rot. Bonds2

About 5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine

5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine (PubChem CID 63692065) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine
PubChem CID63692065
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(Cc2cccs2)n1
InChIInChI=1S/C7H7N3OS/c8-7-9-6(11-10-7)4-5-2-1-3-12-5/h1-3H,4H2,(H2,8,10)
InChIKeyNSAXGXPJXNMKDS-UHFFFAOYSA-N
XLogP1.30
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]aniline
CID 10355103
[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660341
5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 16768121
5-(naphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 63692237
3-[5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115079627
5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine
CID 65417058
5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 115004217
5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine
CID 63692412
4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine
CID 83241447
3,3-dimethyl-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352397
[2-(thiophen-2-ylmethyl)-1,3-oxazol-5-yl]methanamine
CID 115087573
(1R)-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 94458021

Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine (CID 63692065) is 5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine is Nc1noc(Cc2cccs2)n1.
What is the InChIKey of 5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is NSAXGXPJXNMKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c8-7-9-6(11-10-7)4-5-2-1-3-12-5/h1-3H,4H2,(H2,8,10).
What are the key properties of 5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine?
5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 181.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 63692065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).