2-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole

C11H10N2OS2 — CID 2739838

IUPAC2-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cc3sccc3s2)o1
InChIInChI=1S/C11H10N2OS2/c1-6(2)10-12-13-11(14-10)9-5-8-7(16-9)3-4-15-8/h3-6H,1-2H3
InChIKeyNAQOCAVLZDQRLA-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.14
Rot. Bonds2

About 2-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole

2-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole (PubChem CID 2739838) has the molecular formula C11H10N2OS2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole
PubChem CID2739838
Molecular FormulaC11H10N2OS2
Molecular Weight250.35 g/mol
Exact Mass250.02
IUPAC Name2-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cc3sccc3s2)o1
InChIInChI=1S/C11H10N2OS2/c1-6(2)10-12-13-11(14-10)9-5-8-7(16-9)3-4-15-8/h3-6H,1-2H3
InChIKeyNAQOCAVLZDQRLA-UHFFFAOYSA-N
XLogP4.14
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole?
The IUPAC name of 2-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole (CID 2739838) is 2-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole is CC(C)c1nnc(-c2cc3sccc3s2)o1.
What is the InChIKey of 2-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole?
The InChIKey is NAQOCAVLZDQRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS2/c1-6(2)10-12-13-11(14-10)9-5-8-7(16-9)3-4-15-8/h3-6H,1-2H3.
What are the key properties of 2-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole?
2-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole has a molecular weight of 250.35 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazole is sourced from PubChem (CID 2739838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).