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

C10H10F3N3OS — CID 54977383

IUPAC(2,5-dimethylthiophen-3-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1cc(C(N)c2noc(C(F)(F)F)n2)c(C)s1
InChIInChI=1S/C10H10F3N3OS/c1-4-3-6(5(2)18-4)7(14)8-15-9(17-16-8)10(11,12)13/h3,7H,14H2,1-2H3
InChIKeyZSFCSHLTEFPFIG-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.81
Rot. Bonds2

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

(2,5-dimethylthiophen-3-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 54977383) has the molecular formula C10H10F3N3OS and a molecular weight of 277.27 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID54977383
Molecular FormulaC10H10F3N3OS
Molecular Weight277.27 g/mol
Exact Mass277.05
IUPAC Name(2,5-dimethylthiophen-3-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1cc(C(N)c2noc(C(F)(F)F)n2)c(C)s1
InChIInChI=1S/C10H10F3N3OS/c1-4-3-6(5(2)18-4)7(14)8-15-9(17-16-8)10(11,12)13/h3,7H,14H2,1-2H3
InChIKeyZSFCSHLTEFPFIG-UHFFFAOYSA-N
XLogP2.81
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 54977383) is (2,5-dimethylthiophen-3-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is Cc1cc(C(N)c2noc(C(F)(F)F)n2)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is ZSFCSHLTEFPFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3OS/c1-4-3-6(5(2)18-4)7(14)8-15-9(17-16-8)10(11,12)13/h3,7H,14H2,1-2H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
(2,5-dimethylthiophen-3-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 277.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 54977383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).