7-(4-fluorophenyl)-5-(furan-2-yl)-7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

C16H11FN2O2S — CID 123325396

IUPAC7-(4-fluorophenyl)-5-(furan-2-yl)-7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=C1CSC2=NC(c3ccc(F)cc3)C=C(c3ccco3)N12
InChIInChI=1S/C16H11FN2O2S/c17-11-5-3-10(4-6-11)12-8-13(14-2-1-7-21-14)19-15(20)9-22-16(19)18-12/h1-8,12H,9H2
InChIKeyRPPHPBNDUNNMCZ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.45
Rot. Bonds2

About 7-(4-fluorophenyl)-5-(furan-2-yl)-7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

7-(4-fluorophenyl)-5-(furan-2-yl)-7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 123325396) has the molecular formula C16H11FN2O2S and a molecular weight of 314.34 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-5-(furan-2-yl)-7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-5-(furan-2-yl)-7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID123325396
Molecular FormulaC16H11FN2O2S
Molecular Weight314.34 g/mol
Exact Mass314.05
IUPAC Name7-(4-fluorophenyl)-5-(furan-2-yl)-7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=C1CSC2=NC(c3ccc(F)cc3)C=C(c3ccco3)N12
InChIInChI=1S/C16H11FN2O2S/c17-11-5-3-10(4-6-11)12-8-13(14-2-1-7-21-14)19-15(20)9-22-16(19)18-12/h1-8,12H,9H2
InChIKeyRPPHPBNDUNNMCZ-UHFFFAOYSA-N
XLogP3.45
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-5-(furan-2-yl)-7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of 7-(4-fluorophenyl)-5-(furan-2-yl)-7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 123325396) is 7-(4-fluorophenyl)-5-(furan-2-yl)-7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for 7-(4-fluorophenyl)-5-(furan-2-yl)-7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for 7-(4-fluorophenyl)-5-(furan-2-yl)-7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is O=C1CSC2=NC(c3ccc(F)cc3)C=C(c3ccco3)N12.
What is the InChIKey of 7-(4-fluorophenyl)-5-(furan-2-yl)-7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is RPPHPBNDUNNMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2S/c17-11-5-3-10(4-6-11)12-8-13(14-2-1-7-21-14)19-15(20)9-22-16(19)18-12/h1-8,12H,9H2.
What are the key properties of 7-(4-fluorophenyl)-5-(furan-2-yl)-7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
7-(4-fluorophenyl)-5-(furan-2-yl)-7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 314.34 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-5-(furan-2-yl)-7H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 123325396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).