4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C10H10F3N3OS — CID 61392883

IUPAC4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1sc(N)c(-c2nc(CC(F)(F)F)no2)c1C
InChIInChI=1S/C10H10F3N3OS/c1-4-5(2)18-8(14)7(4)9-15-6(16-17-9)3-10(11,12)13/h3,14H2,1-2H3
InChIKeyMLRUUMUZKBEBES-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.10
Rot. Bonds2

About 4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 61392883) has the molecular formula C10H10F3N3OS and a molecular weight of 277.27 g/mol. Its IUPAC name is 4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID61392883
Molecular FormulaC10H10F3N3OS
Molecular Weight277.27 g/mol
Exact Mass277.05
IUPAC Name4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1sc(N)c(-c2nc(CC(F)(F)F)no2)c1C
InChIInChI=1S/C10H10F3N3OS/c1-4-5(2)18-8(14)7(4)9-15-6(16-17-9)3-10(11,12)13/h3,14H2,1-2H3
InChIKeyMLRUUMUZKBEBES-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 61392883) is 4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Cc1sc(N)c(-c2nc(CC(F)(F)F)no2)c1C.
What is the InChIKey of 4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is MLRUUMUZKBEBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3OS/c1-4-5(2)18-8(14)7(4)9-15-6(16-17-9)3-10(11,12)13/h3,14H2,1-2H3.
What are the key properties of 4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 277.27 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 61392883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).