(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine

C7H7N3OS — CID 47002355

IUPAC(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
SMILESNCc1noc(-c2ccsc2)n1
InChIInChI=1S/C7H7N3OS/c8-3-6-9-7(11-10-6)5-1-2-12-4-5/h1-2,4H,3,8H2
InChIKeyMSFWWMBJLSTUIZ-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.26
Rot. Bonds2

About (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine

(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 47002355) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID47002355
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
SMILESNCc1noc(-c2ccsc2)n1
InChIInChI=1S/C7H7N3OS/c8-3-6-9-7(11-10-6)5-1-2-12-4-5/h1-2,4H,3,8H2
InChIKeyMSFWWMBJLSTUIZ-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine (CID 47002355) is (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine is NCc1noc(-c2ccsc2)n1.
What is the InChIKey of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is MSFWWMBJLSTUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c8-3-6-9-7(11-10-6)5-1-2-12-4-5/h1-2,4H,3,8H2.
What are the key properties of (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine?
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 181.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 47002355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).