2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole

C15H12N2OS2 — CID 167872913

IUPAC2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole
SMILESC(=C/c1cccs1)\c1nnc(-c2cc3c(s2)CCC3)o1
InChIInChI=1S/C15H12N2OS2/c1-3-10-9-13(20-12(10)5-1)15-17-16-14(18-15)7-6-11-4-2-8-19-11/h2,4,6-9H,1,3,5H2/b7-6+
InChIKeyROBLASPXLQHJFA-VOTSOKGWSA-N
MW300.41 g/mol
LogP4.52
Rot. Bonds3

About 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole

2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole (PubChem CID 167872913) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole
PubChem CID167872913
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole
SMILESC(=C/c1cccs1)\c1nnc(-c2cc3c(s2)CCC3)o1
InChIInChI=1S/C15H12N2OS2/c1-3-10-9-13(20-12(10)5-1)15-17-16-14(18-15)7-6-11-4-2-8-19-11/h2,4,6-9H,1,3,5H2/b7-6+
InChIKeyROBLASPXLQHJFA-VOTSOKGWSA-N
XLogP4.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole (CID 167872913) is 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole is C(=C/c1cccs1)\c1nnc(-c2cc3c(s2)CCC3)o1.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole?
The InChIKey is ROBLASPXLQHJFA-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H12N2OS2/c1-3-10-9-13(20-12(10)5-1)15-17-16-14(18-15)7-6-11-4-2-8-19-11/h2,4,6-9H,1,3,5H2/b7-6+.
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole?
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole has a molecular weight of 300.41 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 167872913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).