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

C10H10F3N3OS — CID 62346465

IUPAC(5-ethylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCCc1ccc(C(N)c2noc(C(F)(F)F)n2)s1
InChIInChI=1S/C10H10F3N3OS/c1-2-5-3-4-6(18-5)7(14)8-15-9(17-16-8)10(11,12)13/h3-4,7H,2,14H2,1H3
InChIKeyMDRHKGZIVSMJEV-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.76
Rot. Bonds3

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

(5-ethylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 62346465) has the molecular formula C10H10F3N3OS and a molecular weight of 277.27 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID62346465
Molecular FormulaC10H10F3N3OS
Molecular Weight277.27 g/mol
Exact Mass277.05
IUPAC Name(5-ethylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCCc1ccc(C(N)c2noc(C(F)(F)F)n2)s1
InChIInChI=1S/C10H10F3N3OS/c1-2-5-3-4-6(18-5)7(14)8-15-9(17-16-8)10(11,12)13/h3-4,7H,2,14H2,1H3
InChIKeyMDRHKGZIVSMJEV-UHFFFAOYSA-N
XLogP2.76
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of (5-ethylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 62346465) is (5-ethylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for (5-ethylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for (5-ethylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is CCc1ccc(C(N)c2noc(C(F)(F)F)n2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is MDRHKGZIVSMJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3OS/c1-2-5-3-4-6(18-5)7(14)8-15-9(17-16-8)10(11,12)13/h3-4,7H,2,14H2,1H3.
What are the key properties of (5-ethylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
(5-ethylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 277.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 62346465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).