3-bromo-5-chloro-4,6-dimethyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

C13H14BrClN2OS — CID 121479811

IUPAC3-bromo-5-chloro-4,6-dimethyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)NC(C)C)c(Br)c2c(C)c1Cl
InChIInChI=1S/C13H14BrClN2OS/c1-5(2)16-12(18)11-9(14)8-6(3)10(15)7(4)17-13(8)19-11/h5H,1-4H3,(H,16,18)
InChIKeyYXYXFJJJJRNKSM-UHFFFAOYSA-N
MW361.69 g/mol
LogP4.47
Rot. Bonds2

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

3-bromo-5-chloro-4,6-dimethyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 121479811) has the molecular formula C13H14BrClN2OS and a molecular weight of 361.69 g/mol. Its IUPAC name is 3-bromo-5-chloro-4,6-dimethyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-5-chloro-4,6-dimethyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID121479811
Molecular FormulaC13H14BrClN2OS
Molecular Weight361.69 g/mol
Exact Mass359.97
IUPAC Name3-bromo-5-chloro-4,6-dimethyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)NC(C)C)c(Br)c2c(C)c1Cl
InChIInChI=1S/C13H14BrClN2OS/c1-5(2)16-12(18)11-9(14)8-6(3)10(15)7(4)17-13(8)19-11/h5H,1-4H3,(H,16,18)
InChIKeyYXYXFJJJJRNKSM-UHFFFAOYSA-N
XLogP4.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.69
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-4,6-dimethyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-5-chloro-4,6-dimethyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 121479811) is 3-bromo-5-chloro-4,6-dimethyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-5-chloro-4,6-dimethyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-5-chloro-4,6-dimethyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)NC(C)C)c(Br)c2c(C)c1Cl.
What is the InChIKey of 3-bromo-5-chloro-4,6-dimethyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YXYXFJJJJRNKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2OS/c1-5(2)16-12(18)11-9(14)8-6(3)10(15)7(4)17-13(8)19-11/h5H,1-4H3,(H,16,18).
What are the key properties of 3-bromo-5-chloro-4,6-dimethyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-bromo-5-chloro-4,6-dimethyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 361.69 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-4,6-dimethyl-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 121479811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).