3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C12H15N3OS — CID 750440

IUPAC3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCc1c(C)nc2sc(C(N)=O)c(N)c2c1C
InChIInChI=1S/C12H15N3OS/c1-4-7-5(2)8-9(13)10(11(14)16)17-12(8)15-6(7)3/h4,13H2,1-3H3,(H2,14,16)
InChIKeyCWKMPZOEUOYQAU-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.16
Rot. Bonds2

About 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 750440) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID750440
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCc1c(C)nc2sc(C(N)=O)c(N)c2c1C
InChIInChI=1S/C12H15N3OS/c1-4-7-5(2)8-9(13)10(11(14)16)17-12(8)15-6(7)3/h4,13H2,1-3H3,(H2,14,16)
InChIKeyCWKMPZOEUOYQAU-UHFFFAOYSA-N
XLogP2.16
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 750440) is 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is CCc1c(C)nc2sc(C(N)=O)c(N)c2c1C.
What is the InChIKey of 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CWKMPZOEUOYQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-4-7-5(2)8-9(13)10(11(14)16)17-12(8)15-6(7)3/h4,13H2,1-3H3,(H2,14,16).
What are the key properties of 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 750440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).