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

C15H11FN2O3S — CID 112774557

IUPAC7-[(2-acetyl-4-fluorophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(=O)c1cc(F)ccc1OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H11FN2O3S/c1-9(19)12-6-10(16)2-3-13(12)21-8-11-7-14(20)18-4-5-22-15(18)17-11/h2-7H,8H2,1H3
InChIKeyPTLZXJAZGQOQIP-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.68
Rot. Bonds4

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

7-[(2-acetyl-4-fluorophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 112774557) has the molecular formula C15H11FN2O3S and a molecular weight of 318.33 g/mol. Its IUPAC name is 7-[(2-acetyl-4-fluorophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(2-acetyl-4-fluorophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID112774557
Molecular FormulaC15H11FN2O3S
Molecular Weight318.33 g/mol
Exact Mass318.05
IUPAC Name7-[(2-acetyl-4-fluorophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(=O)c1cc(F)ccc1OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H11FN2O3S/c1-9(19)12-6-10(16)2-3-13(12)21-8-11-7-14(20)18-4-5-22-15(18)17-11/h2-7H,8H2,1H3
InChIKeyPTLZXJAZGQOQIP-UHFFFAOYSA-N
XLogP2.68
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-acetyl-4-fluorophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(2-acetyl-4-fluorophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 112774557) is 7-[(2-acetyl-4-fluorophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(2-acetyl-4-fluorophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(2-acetyl-4-fluorophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(=O)c1cc(F)ccc1OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of 7-[(2-acetyl-4-fluorophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PTLZXJAZGQOQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3S/c1-9(19)12-6-10(16)2-3-13(12)21-8-11-7-14(20)18-4-5-22-15(18)17-11/h2-7H,8H2,1H3.
What are the key properties of 7-[(2-acetyl-4-fluorophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(2-acetyl-4-fluorophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 318.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-acetyl-4-fluorophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 112774557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).