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

C12H12BrClN2OS — CID 121479810

IUPAC3-bromo-5-chloro-N,N,4,6-tetramethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)N(C)C)c(Br)c2c(C)c1Cl
InChIInChI=1S/C12H12BrClN2OS/c1-5-7-8(13)10(12(17)16(3)4)18-11(7)15-6(2)9(5)14/h1-4H3
InChIKeyAASZWCZPUMBBIT-UHFFFAOYSA-N
MW347.67 g/mol
LogP4.03
Rot. Bonds1

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

3-bromo-5-chloro-N,N,4,6-tetramethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 121479810) has the molecular formula C12H12BrClN2OS and a molecular weight of 347.67 g/mol. Its IUPAC name is 3-bromo-5-chloro-N,N,4,6-tetramethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N,N,4,6-tetramethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID121479810
Molecular FormulaC12H12BrClN2OS
Molecular Weight347.67 g/mol
Exact Mass345.95
IUPAC Name3-bromo-5-chloro-N,N,4,6-tetramethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)N(C)C)c(Br)c2c(C)c1Cl
InChIInChI=1S/C12H12BrClN2OS/c1-5-7-8(13)10(12(17)16(3)4)18-11(7)15-6(2)9(5)14/h1-4H3
InChIKeyAASZWCZPUMBBIT-UHFFFAOYSA-N
XLogP4.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.67
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-5-chloro-N,N,4,6-tetramethylthieno[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,N,4,6-tetramethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-5-chloro-N,N,4,6-tetramethylthieno[2,3-b]pyridine-2-carboxamide (CID 121479810) is 3-bromo-5-chloro-N,N,4,6-tetramethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-5-chloro-N,N,4,6-tetramethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-5-chloro-N,N,4,6-tetramethylthieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)N(C)C)c(Br)c2c(C)c1Cl.
What is the InChIKey of 3-bromo-5-chloro-N,N,4,6-tetramethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AASZWCZPUMBBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2OS/c1-5-7-8(13)10(12(17)16(3)4)18-11(7)15-6(2)9(5)14/h1-4H3.
What are the key properties of 3-bromo-5-chloro-N,N,4,6-tetramethylthieno[2,3-b]pyridine-2-carboxamide?
3-bromo-5-chloro-N,N,4,6-tetramethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 347.67 g/mol, XLogP of 4.03, 1 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,N,4,6-tetramethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 121479810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).