2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone

C19H21FN2O2S — CID 94435854

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
SMILESO=C(CN1CCc2sccc2C1)N1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H21FN2O2S/c20-16-3-1-14(2-4-16)17-12-22(8-9-24-17)19(23)13-21-7-5-18-15(11-21)6-10-25-18/h1-4,6,10,17H,5,7-9,11-13H2/t17-/m0/s1
InChIKeyYLWPNXQDUNHOLH-KRWDZBQOSA-N
MW360.45 g/mol
LogP2.85
Rot. Bonds3

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone (PubChem CID 94435854) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
PubChem CID94435854
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
SMILESO=C(CN1CCc2sccc2C1)N1CCO[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C19H21FN2O2S/c20-16-3-1-14(2-4-16)17-12-22(8-9-24-17)19(23)13-21-7-5-18-15(11-21)6-10-25-18/h1-4,6,10,17H,5,7-9,11-13H2/t17-/m0/s1
InChIKeyYLWPNXQDUNHOLH-KRWDZBQOSA-N
XLogP2.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone (CID 94435854) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone is O=C(CN1CCc2sccc2C1)N1CCO[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The InChIKey is YLWPNXQDUNHOLH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c20-16-3-1-14(2-4-16)17-12-22(8-9-24-17)19(23)13-21-7-5-18-15(11-21)6-10-25-18/h1-4,6,10,17H,5,7-9,11-13H2/t17-/m0/s1.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone has a molecular weight of 360.45 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 94435854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).