7-[(4-fluoro-2-propanoylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H13FN2O3S — CID 2471852

IUPAC7-[(4-fluoro-2-propanoylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC(=O)c1cc(F)ccc1OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C16H13FN2O3S/c1-2-13(20)12-7-10(17)3-4-14(12)22-9-11-8-15(21)19-5-6-23-16(19)18-11/h3-8H,2,9H2,1H3
InChIKeyIDFGHZSPHHYZMS-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.07
Rot. Bonds5

About 7-[(4-fluoro-2-propanoylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(4-fluoro-2-propanoylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2471852) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is 7-[(4-fluoro-2-propanoylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-fluoro-2-propanoylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2471852
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC Name7-[(4-fluoro-2-propanoylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC(=O)c1cc(F)ccc1OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C16H13FN2O3S/c1-2-13(20)12-7-10(17)3-4-14(12)22-9-11-8-15(21)19-5-6-23-16(19)18-11/h3-8H,2,9H2,1H3
InChIKeyIDFGHZSPHHYZMS-UHFFFAOYSA-N
XLogP3.07
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluoro-2-propanoylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-fluoro-2-propanoylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2471852) is 7-[(4-fluoro-2-propanoylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-fluoro-2-propanoylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-fluoro-2-propanoylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCC(=O)c1cc(F)ccc1OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[(4-fluoro-2-propanoylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IDFGHZSPHHYZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-2-13(20)12-7-10(17)3-4-14(12)22-9-11-8-15(21)19-5-6-23-16(19)18-11/h3-8H,2,9H2,1H3.
What are the key properties of 7-[(4-fluoro-2-propanoylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-fluoro-2-propanoylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 332.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluoro-2-propanoylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2471852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).