3-amino-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

C18H12BrN3OS2 — CID 1003453

IUPAC3-amino-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2Br)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C18H12BrN3OS2/c19-11-4-1-2-5-12(11)21-17(23)16-15(20)10-7-8-13(22-18(10)25-16)14-6-3-9-24-14/h1-9H,20H2,(H,21,23)
InChIKeyGQMNJPMWZOOXCC-UHFFFAOYSA-N
MW430.35 g/mol
LogP5.62
Rot. Bonds3

About 3-amino-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1003453) has the molecular formula C18H12BrN3OS2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 3-amino-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID1003453
Molecular FormulaC18H12BrN3OS2
Molecular Weight430.35 g/mol
Exact Mass428.96
IUPAC Name3-amino-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2ccccc2Br)sc2nc(-c3cccs3)ccc12
InChIInChI=1S/C18H12BrN3OS2/c19-11-4-1-2-5-12(11)21-17(23)16-15(20)10-7-8-13(22-18(10)25-16)14-6-3-9-24-14/h1-9H,20H2,(H,21,23)
InChIKeyGQMNJPMWZOOXCC-UHFFFAOYSA-N
XLogP5.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.35
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 1003453) is 3-amino-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2ccccc2Br)sc2nc(-c3cccs3)ccc12.
What is the InChIKey of 3-amino-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GQMNJPMWZOOXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3OS2/c19-11-4-1-2-5-12(11)21-17(23)16-15(20)10-7-8-13(22-18(10)25-16)14-6-3-9-24-14/h1-9H,20H2,(H,21,23).
What are the key properties of 3-amino-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 430.35 g/mol, XLogP of 5.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1003453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).