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

C15H12N2O3S — CID 2621404

IUPAC7-[(4-acetylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(=O)c1ccc(OCc2cc(=O)n3ccsc3n2)cc1
InChIInChI=1S/C15H12N2O3S/c1-10(18)11-2-4-13(5-3-11)20-9-12-8-14(19)17-6-7-21-15(17)16-12/h2-8H,9H2,1H3
InChIKeyWILZTVLXKRTKNX-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.54
Rot. Bonds4

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

7-[(4-acetylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2621404) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 7-[(4-acetylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-acetylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2621404
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name7-[(4-acetylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(=O)c1ccc(OCc2cc(=O)n3ccsc3n2)cc1
InChIInChI=1S/C15H12N2O3S/c1-10(18)11-2-4-13(5-3-11)20-9-12-8-14(19)17-6-7-21-15(17)16-12/h2-8H,9H2,1H3
InChIKeyWILZTVLXKRTKNX-UHFFFAOYSA-N
XLogP2.54
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[(4-acetylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(4-acetylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-acetylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2621404) is 7-[(4-acetylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-acetylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-acetylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(=O)c1ccc(OCc2cc(=O)n3ccsc3n2)cc1.
What is the InChIKey of 7-[(4-acetylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WILZTVLXKRTKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-10(18)11-2-4-13(5-3-11)20-9-12-8-14(19)17-6-7-21-15(17)16-12/h2-8H,9H2,1H3.
What are the key properties of 7-[(4-acetylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-acetylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 300.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-acetylphenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2621404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).