1-[3-amino-2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-methylthieno[2,3-b]pyridin-5-yl]ethanone

C18H13BrN4O2S — CID 47093566

IUPAC1-[3-amino-2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-methylthieno[2,3-b]pyridin-5-yl]ethanone
SMILESCC(=O)c1cc2c(N)c(-c3nnc(-c4ccccc4Br)o3)sc2nc1C
InChIInChI=1S/C18H13BrN4O2S/c1-8-11(9(2)24)7-12-14(20)15(26-18(12)21-8)17-23-22-16(25-17)10-5-3-4-6-13(10)19/h3-7H,20H2,1-2H3
InChIKeyKOILQGFKQUJMCC-UHFFFAOYSA-N
MW429.30 g/mol
LogP4.87
Rot. Bonds3

About 1-[3-amino-2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-methylthieno[2,3-b]pyridin-5-yl]ethanone

1-[3-amino-2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-methylthieno[2,3-b]pyridin-5-yl]ethanone (PubChem CID 47093566) has the molecular formula C18H13BrN4O2S and a molecular weight of 429.30 g/mol. Its IUPAC name is 1-[3-amino-2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-methylthieno[2,3-b]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-methylthieno[2,3-b]pyridin-5-yl]ethanone
PubChem CID47093566
Molecular FormulaC18H13BrN4O2S
Molecular Weight429.30 g/mol
Exact Mass427.99
IUPAC Name1-[3-amino-2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-methylthieno[2,3-b]pyridin-5-yl]ethanone
SMILESCC(=O)c1cc2c(N)c(-c3nnc(-c4ccccc4Br)o3)sc2nc1C
InChIInChI=1S/C18H13BrN4O2S/c1-8-11(9(2)24)7-12-14(20)15(26-18(12)21-8)17-23-22-16(25-17)10-5-3-4-6-13(10)19/h3-7H,20H2,1-2H3
InChIKeyKOILQGFKQUJMCC-UHFFFAOYSA-N
XLogP4.87
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-methylthieno[2,3-b]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-amino-2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-methylthieno[2,3-b]pyridin-5-yl]ethanone (CID 47093566) is 1-[3-amino-2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-methylthieno[2,3-b]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-amino-2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-methylthieno[2,3-b]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-amino-2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-methylthieno[2,3-b]pyridin-5-yl]ethanone is CC(=O)c1cc2c(N)c(-c3nnc(-c4ccccc4Br)o3)sc2nc1C.
What is the InChIKey of 1-[3-amino-2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-methylthieno[2,3-b]pyridin-5-yl]ethanone?
The InChIKey is KOILQGFKQUJMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O2S/c1-8-11(9(2)24)7-12-14(20)15(26-18(12)21-8)17-23-22-16(25-17)10-5-3-4-6-13(10)19/h3-7H,20H2,1-2H3.
What are the key properties of 1-[3-amino-2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-methylthieno[2,3-b]pyridin-5-yl]ethanone?
1-[3-amino-2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-methylthieno[2,3-b]pyridin-5-yl]ethanone has a molecular weight of 429.30 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-methylthieno[2,3-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 47093566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).