ethyl 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate

C17H23N3O4S — CID 50985862

IUPACethyl 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(OCCN3CCOCC3)cc(C)c2c1N
InChIInChI=1S/C17H23N3O4S/c1-3-23-17(21)15-14(18)13-11(2)10-12(19-16(13)25-15)24-9-6-20-4-7-22-8-5-20/h10H,3-9,18H2,1-2H3
InChIKeyYZPSAKDJGIQTFQ-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.07
Rot. Bonds6

About ethyl 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate

ethyl 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 50985862) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is ethyl 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID50985862
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Nameethyl 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(OCCN3CCOCC3)cc(C)c2c1N
InChIInChI=1S/C17H23N3O4S/c1-3-23-17(21)15-14(18)13-11(2)10-12(19-16(13)25-15)24-9-6-20-4-7-22-8-5-20/h10H,3-9,18H2,1-2H3
InChIKeyYZPSAKDJGIQTFQ-UHFFFAOYSA-N
XLogP2.07
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate (CID 50985862) is ethyl 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nc(OCCN3CCOCC3)cc(C)c2c1N.
What is the InChIKey of ethyl 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is YZPSAKDJGIQTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-3-23-17(21)15-14(18)13-11(2)10-12(19-16(13)25-15)24-9-6-20-4-7-22-8-5-20/h10H,3-9,18H2,1-2H3.
What are the key properties of ethyl 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 365.46 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 50985862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).