5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one

C19H18FN3O2S — CID 1192580

IUPAC5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)N1CCCCC1
InChIInChI=1S/C19H18FN3O2S/c20-14-6-4-13(5-7-14)15-11-26-18-17(15)19(25)23(12-21-18)10-16(24)22-8-2-1-3-9-22/h4-7,11-12H,1-3,8-10H2
InChIKeyCVTVGLZSTMIFEW-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.28
Rot. Bonds3

About 5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one

5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 1192580) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID1192580
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)N1CCCCC1
InChIInChI=1S/C19H18FN3O2S/c20-14-6-4-13(5-7-14)15-11-26-18-17(15)19(25)23(12-21-18)10-16(24)22-8-2-1-3-9-22/h4-7,11-12H,1-3,8-10H2
InChIKeyCVTVGLZSTMIFEW-UHFFFAOYSA-N
XLogP3.28
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one (CID 1192580) is 5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one is O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)N1CCCCC1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is CVTVGLZSTMIFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-14-6-4-13(5-7-14)15-11-26-18-17(15)19(25)23(12-21-18)10-16(24)22-8-2-1-3-9-22/h4-7,11-12H,1-3,8-10H2.
What are the key properties of 5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?
5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 371.44 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 1192580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).