[4-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

C18H15FN2O2S — CID 129160753

IUPAC[4-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(-c3ccc(F)cc3)ccnc2s1)N1CCOCC1
InChIInChI=1S/C18H15FN2O2S/c19-13-3-1-12(2-4-13)14-5-6-20-17-15(14)11-16(24-17)18(22)21-7-9-23-10-8-21/h1-6,11H,7-10H2
InChIKeyLQIFOYZLWFDDLC-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.57
Rot. Bonds2

About [4-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

[4-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 129160753) has the molecular formula C18H15FN2O2S and a molecular weight of 342.39 g/mol. Its IUPAC name is [4-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID129160753
Molecular FormulaC18H15FN2O2S
Molecular Weight342.39 g/mol
Exact Mass342.08
IUPAC Name[4-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(-c3ccc(F)cc3)ccnc2s1)N1CCOCC1
InChIInChI=1S/C18H15FN2O2S/c19-13-3-1-12(2-4-13)14-5-6-20-17-15(14)11-16(24-17)18(22)21-7-9-23-10-8-21/h1-6,11H,7-10H2
InChIKeyLQIFOYZLWFDDLC-UHFFFAOYSA-N
XLogP3.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone (CID 129160753) is [4-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone is O=C(c1cc2c(-c3ccc(F)cc3)ccnc2s1)N1CCOCC1.
What is the InChIKey of [4-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is LQIFOYZLWFDDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c19-13-3-1-12(2-4-13)14-5-6-20-17-15(14)11-16(24-17)18(22)21-7-9-23-10-8-21/h1-6,11H,7-10H2.
What are the key properties of [4-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone?
[4-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 342.39 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 129160753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).