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

C13H11FN2O2S — CID 135645306

IUPAC6-[(4-fluorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)nc2n1CCS2
InChIInChI=1S/C13H11FN2O2S/c14-9-3-1-8(2-4-9)7-10-11(17)15-13-16(12(10)18)5-6-19-13/h1-4,17H,5-7H2
InChIKeyRSWBBHWNGVTZQW-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.78
Rot. Bonds2

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

6-[(4-fluorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135645306) has the molecular formula C13H11FN2O2S and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135645306
Molecular FormulaC13H11FN2O2S
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC Name6-[(4-fluorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(Cc2ccc(F)cc2)c(O)nc2n1CCS2
InChIInChI=1S/C13H11FN2O2S/c14-9-3-1-8(2-4-9)7-10-11(17)15-13-16(12(10)18)5-6-19-13/h1-4,17H,5-7H2
InChIKeyRSWBBHWNGVTZQW-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135645306) is 6-[(4-fluorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1c(Cc2ccc(F)cc2)c(O)nc2n1CCS2.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RSWBBHWNGVTZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2S/c14-9-3-1-8(2-4-9)7-10-11(17)15-13-16(12(10)18)5-6-19-13/h1-4,17H,5-7H2.
What are the key properties of 6-[(4-fluorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[(4-fluorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 278.31 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135645306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).