5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-amine

C7H7N3OS — CID 79808865

IUPAC5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-amine
SMILESCc1cscc1-c1nc(N)no1
InChIInChI=1S/C7H7N3OS/c1-4-2-12-3-5(4)6-9-7(8)10-11-6/h2-3H,1H3,(H2,8,10)
InChIKeyPJIOIAFJVWPAFN-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.69
Rot. Bonds1

About 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-amine

5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 79808865) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-amine
PubChem CID79808865
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-amine
SMILESCc1cscc1-c1nc(N)no1
InChIInChI=1S/C7H7N3OS/c1-4-2-12-3-5(4)6-9-7(8)10-11-6/h2-3H,1H3,(H2,8,10)
InChIKeyPJIOIAFJVWPAFN-UHFFFAOYSA-N
XLogP1.69
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-amine (CID 79808865) is 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-amine is Cc1cscc1-c1nc(N)no1.
What is the InChIKey of 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is PJIOIAFJVWPAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-4-2-12-3-5(4)6-9-7(8)10-11-6/h2-3H,1H3,(H2,8,10).
What are the key properties of 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-amine?
5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 181.22 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 79808865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).