ethyl 3-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate

C14H15BrN2O3S — CID 163397208

IUPACethyl 3-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(Br)csc2c1N1CCOCC1
InChIInChI=1S/C14H15BrN2O3S/c1-2-20-14(18)9-7-16-11-10(15)8-21-13(11)12(9)17-3-5-19-6-4-17/h7-8H,2-6H2,1H3
InChIKeyMJAWTRGISNPQJT-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.07
Rot. Bonds3

About ethyl 3-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate

ethyl 3-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate (PubChem CID 163397208) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is ethyl 3-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate
PubChem CID163397208
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Nameethyl 3-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(Br)csc2c1N1CCOCC1
InChIInChI=1S/C14H15BrN2O3S/c1-2-20-14(18)9-7-16-11-10(15)8-21-13(11)12(9)17-3-5-19-6-4-17/h7-8H,2-6H2,1H3
InChIKeyMJAWTRGISNPQJT-UHFFFAOYSA-N
XLogP3.07
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
ethyl 5-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate
CID 169093505
ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
CID 114194649
ethyl 8-bromo-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate
CID 163201437
ethyl 6,8-dimethyl-4-(4-methylpiperidin-1-yl)quinoline-3-carboxylate
CID 135272181
ethane;ethyl 7-chloro-3-methylthieno[3,2-b]pyridine-6-carboxylate
CID 176685506
ethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate
CID 118690377
1-(3-ethoxycarbonyl-6,8-dimethylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047467
2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate
CID 154109144
ethyl 4-[2-(hydroxymethyl)morpholin-4-yl]-7,8-dimethylquinoline-3-carboxylate
CID 133368783
1-(3-ethoxycarbonyl-6-fluoro-8-methylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047475
ethyl 4-thiomorpholin-4-ylquinoline-3-carboxylate
CID 52805665

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 3-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate (CID 163397208) is ethyl 3-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate is CCOC(=O)c1cnc2c(Br)csc2c1N1CCOCC1.
What is the InChIKey of ethyl 3-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate?
The InChIKey is MJAWTRGISNPQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-2-20-14(18)9-7-16-11-10(15)8-21-13(11)12(9)17-3-5-19-6-4-17/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 3-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate?
ethyl 3-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate has a molecular weight of 371.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 163397208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).