ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

C16H18N2O4S — CID 740873

IUPACethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(C)cc(C)c2c1N(C(C)=O)C(C)=O
InChIInChI=1S/C16H18N2O4S/c1-6-22-16(21)14-13(18(10(4)19)11(5)20)12-8(2)7-9(3)17-15(12)23-14/h7H,6H2,1-5H3
InChIKeyPNIUZDCLLFELHY-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.99
Rot. Bonds3

About ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 740873) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID740873
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Nameethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(C)cc(C)c2c1N(C(C)=O)C(C)=O
InChIInChI=1S/C16H18N2O4S/c1-6-22-16(21)14-13(18(10(4)19)11(5)20)12-8(2)7-9(3)17-15(12)23-14/h7H,6H2,1-5H3
InChIKeyPNIUZDCLLFELHY-UHFFFAOYSA-N
XLogP2.99
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (CID 740873) is ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nc(C)cc(C)c2c1N(C(C)=O)C(C)=O.
What is the InChIKey of ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is PNIUZDCLLFELHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-6-22-16(21)14-13(18(10(4)19)11(5)20)12-8(2)7-9(3)17-15(12)23-14/h7H,6H2,1-5H3.
What are the key properties of ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 334.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(diacetylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 740873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).