2-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

C13H13FN2OS — CID 43845174

IUPAC2-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=C1C(Cc2ccc(F)cc2)SC2=NCCCN12
InChIInChI=1S/C13H13FN2OS/c14-10-4-2-9(3-5-10)8-11-12(17)16-7-1-6-15-13(16)18-11/h2-5,11H,1,6-8H2
InChIKeyFIFAEVVRAIZJQL-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.07
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

2-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 43845174) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID43845174
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name2-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=C1C(Cc2ccc(F)cc2)SC2=NCCCN12
InChIInChI=1S/C13H13FN2OS/c14-10-4-2-9(3-5-10)8-11-12(17)16-7-1-6-15-13(16)18-11/h2-5,11H,1,6-8H2
InChIKeyFIFAEVVRAIZJQL-UHFFFAOYSA-N
XLogP2.07
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 43845174) is 2-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is O=C1C(Cc2ccc(F)cc2)SC2=NCCCN12.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is FIFAEVVRAIZJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c14-10-4-2-9(3-5-10)8-11-12(17)16-7-1-6-15-13(16)18-11/h2-5,11H,1,6-8H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
2-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 264.32 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 43845174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).