(3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

C8H5BrF3N3OS — CID 113298197

IUPAC(3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNC(c1noc(C(F)(F)F)n1)c1sccc1Br
InChIInChI=1S/C8H5BrF3N3OS/c9-3-1-2-17-5(3)4(13)6-14-7(16-15-6)8(10,11)12/h1-2,4H,13H2
InChIKeyAIRFBUCLFMKCDJ-UHFFFAOYSA-N
MW328.11 g/mol
LogP2.96
Rot. Bonds2

About (3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

(3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 113298197) has the molecular formula C8H5BrF3N3OS and a molecular weight of 328.11 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID113298197
Molecular FormulaC8H5BrF3N3OS
Molecular Weight328.11 g/mol
Exact Mass326.93
IUPAC Name(3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNC(c1noc(C(F)(F)F)n1)c1sccc1Br
InChIInChI=1S/C8H5BrF3N3OS/c9-3-1-2-17-5(3)4(13)6-14-7(16-15-6)8(10,11)12/h1-2,4H,13H2
InChIKeyAIRFBUCLFMKCDJ-UHFFFAOYSA-N
XLogP2.96
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of (3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 113298197) is (3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for (3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for (3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is NC(c1noc(C(F)(F)F)n1)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is AIRFBUCLFMKCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3N3OS/c9-3-1-2-17-5(3)4(13)6-14-7(16-15-6)8(10,11)12/h1-2,4H,13H2.
What are the key properties of (3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
(3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 328.11 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 113298197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).