3-bromo-5-chloro-N-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

C13H14BrClN2OS — CID 121479809

IUPAC3-bromo-5-chloro-N-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCN(C)C(=O)c1sc2nc(C)c(Cl)c(C)c2c1Br
InChIInChI=1S/C13H14BrClN2OS/c1-5-17(4)13(18)11-9(14)8-6(2)10(15)7(3)16-12(8)19-11/h5H2,1-4H3
InChIKeyUXGPVRFHWGASGK-UHFFFAOYSA-N
MW361.69 g/mol
LogP4.42
Rot. Bonds2

About 3-bromo-5-chloro-N-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

3-bromo-5-chloro-N-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 121479809) has the molecular formula C13H14BrClN2OS and a molecular weight of 361.69 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID121479809
Molecular FormulaC13H14BrClN2OS
Molecular Weight361.69 g/mol
Exact Mass359.97
IUPAC Name3-bromo-5-chloro-N-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCN(C)C(=O)c1sc2nc(C)c(Cl)c(C)c2c1Br
InChIInChI=1S/C13H14BrClN2OS/c1-5-17(4)13(18)11-9(14)8-6(2)10(15)7(3)16-12(8)19-11/h5H2,1-4H3
InChIKeyUXGPVRFHWGASGK-UHFFFAOYSA-N
XLogP4.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.69
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-5-chloro-N-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide 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 3-bromo-5-chloro-N-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-5-chloro-N-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (CID 121479809) is 3-bromo-5-chloro-N-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-5-chloro-N-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-5-chloro-N-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is CCN(C)C(=O)c1sc2nc(C)c(Cl)c(C)c2c1Br.
What is the InChIKey of 3-bromo-5-chloro-N-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UXGPVRFHWGASGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2OS/c1-5-17(4)13(18)11-9(14)8-6(2)10(15)7(3)16-12(8)19-11/h5H2,1-4H3.
What are the key properties of 3-bromo-5-chloro-N-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
3-bromo-5-chloro-N-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 361.69 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-ethyl-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 121479809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).