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

C11H13N3OS — CID 62071651

IUPAC1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(-c2cc3c(s2)CCC3)o1
InChIInChI=1S/C11H13N3OS/c1-6(12)10-13-14-11(15-10)9-5-7-3-2-4-8(7)16-9/h5-6H,2-4,12H2,1H3
InChIKeyKIRDAINOUHQQMY-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.31
Rot. Bonds2

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

1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62071651) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62071651
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(-c2cc3c(s2)CCC3)o1
InChIInChI=1S/C11H13N3OS/c1-6(12)10-13-14-11(15-10)9-5-7-3-2-4-8(7)16-9/h5-6H,2-4,12H2,1H3
InChIKeyKIRDAINOUHQQMY-UHFFFAOYSA-N
XLogP2.31
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62071651) is 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CC(N)c1nnc(-c2cc3c(s2)CCC3)o1.
What is the InChIKey of 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is KIRDAINOUHQQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-6(12)10-13-14-11(15-10)9-5-7-3-2-4-8(7)16-9/h5-6H,2-4,12H2,1H3.
What are the key properties of 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 235.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62071651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).