2-(2-oxopyrrolidin-1-yl)ethyl thieno[3,2-b]pyridine-6-carboxylate

C14H14N2O3S — CID 71988091

IUPAC2-(2-oxopyrrolidin-1-yl)ethyl thieno[3,2-b]pyridine-6-carboxylate
SMILESO=C(OCCN1CCCC1=O)c1cnc2ccsc2c1
InChIInChI=1S/C14H14N2O3S/c17-13-2-1-4-16(13)5-6-19-14(18)10-8-12-11(15-9-10)3-7-20-12/h3,7-9H,1-2,4-6H2
InChIKeyJXSIEUKJCJILBF-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.08
Rot. Bonds4

About 2-(2-oxopyrrolidin-1-yl)ethyl thieno[3,2-b]pyridine-6-carboxylate

2-(2-oxopyrrolidin-1-yl)ethyl thieno[3,2-b]pyridine-6-carboxylate (PubChem CID 71988091) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)ethyl thieno[3,2-b]pyridine-6-carboxylate.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)ethyl thieno[3,2-b]pyridine-6-carboxylate
PubChem CID71988091
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-(2-oxopyrrolidin-1-yl)ethyl thieno[3,2-b]pyridine-6-carboxylate
SMILESO=C(OCCN1CCCC1=O)c1cnc2ccsc2c1
InChIInChI=1S/C14H14N2O3S/c17-13-2-1-4-16(13)5-6-19-14(18)10-8-12-11(15-9-10)3-7-20-12/h3,7-9H,1-2,4-6H2
InChIKeyJXSIEUKJCJILBF-UHFFFAOYSA-N
XLogP2.08
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 3-methyl-1-(2-thiophen-3-ylethynyl)pyrrolo[1,2-a]pyrazine-7-carboxylate
CID 44453073
Ethyl 7-chlorothieno[3,2-b]pyridine-6-carboxylate
CID 15565869
Methyl 1-(thiophene-2-carbonyl)-1H-indole-3-carboxylate
CID 702931
Ethyl 7-acetyl-3-(2-thienylcarbonyl)-1-indolizinecarboxylate
CID 852119
[2-(Tert-butylamino)-2-oxo-1-pyridin-3-ylethyl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 3228539
Methyl 6-thiophen-3-ylpyridine-3-carboxylate
CID 155679166
Methyl 6-formylthieno(3,2-b)pyridine-3-carboxylate
CID 101526039
Thieno(3,2-b)pyridine-6-carboxylic acid
CID 14025922
Methyl thieno[3,2-b]pyridine-3-carboxylate
CID 45073292
Thieno(3,2-b)pyridine-3-carboxylic acid
CID 66520716
Methyl 7-chlorothieno(3,2-b)pyridine-6-carboxylate
CID 14809182
3-Methylthieno[3,2-b]pyridine-6-carboxylic acid
CID 75525030

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl thieno[3,2-b]pyridine-6-carboxylate?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl thieno[3,2-b]pyridine-6-carboxylate (CID 71988091) is 2-(2-oxopyrrolidin-1-yl)ethyl thieno[3,2-b]pyridine-6-carboxylate.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)ethyl thieno[3,2-b]pyridine-6-carboxylate?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)ethyl thieno[3,2-b]pyridine-6-carboxylate is O=C(OCCN1CCCC1=O)c1cnc2ccsc2c1.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)ethyl thieno[3,2-b]pyridine-6-carboxylate?
The InChIKey is JXSIEUKJCJILBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-13-2-1-4-16(13)5-6-19-14(18)10-8-12-11(15-9-10)3-7-20-12/h3,7-9H,1-2,4-6H2.
What are the key properties of 2-(2-oxopyrrolidin-1-yl)ethyl thieno[3,2-b]pyridine-6-carboxylate?
2-(2-oxopyrrolidin-1-yl)ethyl thieno[3,2-b]pyridine-6-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)ethyl thieno[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 71988091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).