5-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine

C15H9BrN4O2S — CID 10157139

IUPAC5-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cc3c(Oc4ccc(Br)cc4)cncc3s2)o1
InChIInChI=1S/C15H9BrN4O2S/c16-8-1-3-9(4-2-8)21-11-6-18-7-13-10(11)5-12(23-13)14-19-20-15(17)22-14/h1-7H,(H2,17,20)
InChIKeyHBPRYWMZMLBKGY-UHFFFAOYSA-N
MW389.23 g/mol
LogP4.48
Rot. Bonds3

About 5-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine

5-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 10157139) has the molecular formula C15H9BrN4O2S and a molecular weight of 389.23 g/mol. Its IUPAC name is 5-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
PubChem CID10157139
Molecular FormulaC15H9BrN4O2S
Molecular Weight389.23 g/mol
Exact Mass387.96
IUPAC Name5-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cc3c(Oc4ccc(Br)cc4)cncc3s2)o1
InChIInChI=1S/C15H9BrN4O2S/c16-8-1-3-9(4-2-8)21-11-6-18-7-13-10(11)5-12(23-13)14-19-20-15(17)22-14/h1-7H,(H2,17,20)
InChIKeyHBPRYWMZMLBKGY-UHFFFAOYSA-N
XLogP4.48
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.23
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine (CID 10157139) is 5-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2cc3c(Oc4ccc(Br)cc4)cncc3s2)o1.
What is the InChIKey of 5-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is HBPRYWMZMLBKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN4O2S/c16-8-1-3-9(4-2-8)21-11-6-18-7-13-10(11)5-12(23-13)14-19-20-15(17)22-14/h1-7H,(H2,17,20).
What are the key properties of 5-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine?
5-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 389.23 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 10157139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).