N-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C12H14N2OS — CID 121479827

IUPACN-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(C)cc(C)nc2s1
InChIInChI=1S/C12H14N2OS/c1-4-13-11(15)10-6-9-7(2)5-8(3)14-12(9)16-10/h5-6H,4H2,1-3H3,(H,13,15)
InChIKeyIUSRKFRURYXLHZ-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.66
Rot. Bonds2

About N-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

N-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 121479827) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID121479827
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(C)cc(C)nc2s1
InChIInChI=1S/C12H14N2OS/c1-4-13-11(15)10-6-9-7(2)5-8(3)14-12(9)16-10/h5-6H,4H2,1-3H3,(H,13,15)
InChIKeyIUSRKFRURYXLHZ-UHFFFAOYSA-N
XLogP2.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 121479827) is N-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is CCNC(=O)c1cc2c(C)cc(C)nc2s1.
What is the InChIKey of N-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is IUSRKFRURYXLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-4-13-11(15)10-6-9-7(2)5-8(3)14-12(9)16-10/h5-6H,4H2,1-3H3,(H,13,15).
What are the key properties of N-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
N-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 121479827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).