ethyl 5-morpholin-4-yl-4-pyridin-2-ylthiophene-2-carboxylate

C16H18N2O3S — CID 16676664

IUPACethyl 5-morpholin-4-yl-4-pyridin-2-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1
InChIInChI=1S/C16H18N2O3S/c1-2-21-16(19)14-11-12(13-5-3-4-6-17-13)15(22-14)18-7-9-20-10-8-18/h3-6,11H,2,7-10H2,1H3
InChIKeyKBOJHZWHOWERKM-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.82
Rot. Bonds4

About ethyl 5-morpholin-4-yl-4-pyridin-2-ylthiophene-2-carboxylate

ethyl 5-morpholin-4-yl-4-pyridin-2-ylthiophene-2-carboxylate (PubChem CID 16676664) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is ethyl 5-morpholin-4-yl-4-pyridin-2-ylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-morpholin-4-yl-4-pyridin-2-ylthiophene-2-carboxylate
PubChem CID16676664
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Nameethyl 5-morpholin-4-yl-4-pyridin-2-ylthiophene-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1
InChIInChI=1S/C16H18N2O3S/c1-2-21-16(19)14-11-12(13-5-3-4-6-17-13)15(22-14)18-7-9-20-10-8-18/h3-6,11H,2,7-10H2,1H3
InChIKeyKBOJHZWHOWERKM-UHFFFAOYSA-N
XLogP2.82
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-morpholin-4-yl-4-pyridin-2-ylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-morpholin-4-yl-4-pyridin-2-ylthiophene-2-carboxylate (CID 16676664) is ethyl 5-morpholin-4-yl-4-pyridin-2-ylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-morpholin-4-yl-4-pyridin-2-ylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-morpholin-4-yl-4-pyridin-2-ylthiophene-2-carboxylate is CCOC(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1.
What is the InChIKey of ethyl 5-morpholin-4-yl-4-pyridin-2-ylthiophene-2-carboxylate?
The InChIKey is KBOJHZWHOWERKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-2-21-16(19)14-11-12(13-5-3-4-6-17-13)15(22-14)18-7-9-20-10-8-18/h3-6,11H,2,7-10H2,1H3.
What are the key properties of ethyl 5-morpholin-4-yl-4-pyridin-2-ylthiophene-2-carboxylate?
ethyl 5-morpholin-4-yl-4-pyridin-2-ylthiophene-2-carboxylate has a molecular weight of 318.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-morpholin-4-yl-4-pyridin-2-ylthiophene-2-carboxylate is sourced from PubChem (CID 16676664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).