3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine

C11H10F3N3OS — CID 61392957

IUPAC3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESNc1sc2c(c1-c1nc(CC(F)(F)F)no1)CCC2
InChIInChI=1S/C11H10F3N3OS/c12-11(13,14)4-7-16-10(18-17-7)8-5-2-1-3-6(5)19-9(8)15/h1-4,15H2
InChIKeyRENVWVQTEPGQTE-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.97
Rot. Bonds2

About 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine

3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (PubChem CID 61392957) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.

Molecular Properties

Compound Name3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
PubChem CID61392957
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESNc1sc2c(c1-c1nc(CC(F)(F)F)no1)CCC2
InChIInChI=1S/C11H10F3N3OS/c12-11(13,14)4-7-16-10(18-17-7)8-5-2-1-3-6(5)19-9(8)15/h1-4,15H2
InChIKeyRENVWVQTEPGQTE-UHFFFAOYSA-N
XLogP2.97
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The IUPAC name of 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (CID 61392957) is 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.
What is the SMILES notation for 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The canonical SMILES for 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is Nc1sc2c(c1-c1nc(CC(F)(F)F)no1)CCC2.
What is the InChIKey of 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The InChIKey is RENVWVQTEPGQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c12-11(13,14)4-7-16-10(18-17-7)8-5-2-1-3-6(5)19-9(8)15/h1-4,15H2.
What are the key properties of 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine has a molecular weight of 289.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is sourced from PubChem (CID 61392957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).