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

C12H15N3O2S — CID 79614405

IUPAC3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESCOC(C)c1noc(-c2c(N)sc3c2CCC3)n1
InChIInChI=1S/C12H15N3O2S/c1-6(16-2)11-14-12(17-15-11)9-7-4-3-5-8(7)18-10(9)13/h6H,3-5,13H2,1-2H3
InChIKeyBUTUMOPCZPABEC-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.58
Rot. Bonds3

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

3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (PubChem CID 79614405) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.

Molecular Properties

Compound Name3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
PubChem CID79614405
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESCOC(C)c1noc(-c2c(N)sc3c2CCC3)n1
InChIInChI=1S/C12H15N3O2S/c1-6(16-2)11-14-12(17-15-11)9-7-4-3-5-8(7)18-10(9)13/h6H,3-5,13H2,1-2H3
InChIKeyBUTUMOPCZPABEC-UHFFFAOYSA-N
XLogP2.58
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The IUPAC name of 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (CID 79614405) is 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.
What is the SMILES notation for 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The canonical SMILES for 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is COC(C)c1noc(-c2c(N)sc3c2CCC3)n1.
What is the InChIKey of 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The InChIKey is BUTUMOPCZPABEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-6(16-2)11-14-12(17-15-11)9-7-4-3-5-8(7)18-10(9)13/h6H,3-5,13H2,1-2H3.
What are the key properties of 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine has a molecular weight of 265.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is sourced from PubChem (CID 79614405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).