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

C27H23N3OS — CID 50802741

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

7-[(dibenzylamino)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 50802741) has the molecular formula C27H23N3OS and a molecular weight of 437.57 g/mol. Its IUPAC name is 7-[(dibenzylamino)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 7-[(dibenzylamino)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 50802741
• Molecular Formula: C27H23N3OS
• Molecular Weight: 437.57 g/mol
• Exact Mass: 437.16
• IUPAC Name: 7-[(dibenzylamino)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• SMILES: O=c1cc(CN(Cc2ccccc2)Cc2ccccc2)nc2scc(-c3ccccc3)n12
• InChI: InChI=1S/C27H23N3OS/c31-26-16-24(28-27-30(26)25(20-32-27)23-14-8-3-9-15-23)19-29(17-21-10-4-1-5-11-21)18-22-12-6-2-7-13-22/h1-16,20H,17-19H2
• InChIKey: WUURYJXHDMANFJ-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 37.61 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.57
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[(dibenzylamino)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 7-[(dibenzylamino)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 50802741) is 7-[(dibenzylamino)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 7-[(dibenzylamino)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 7-[(dibenzylamino)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CN(Cc2ccccc2)Cc2ccccc2)nc2scc(-c3ccccc3)n12.

What is the InChIKey of 7-[(dibenzylamino)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is WUURYJXHDMANFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3OS/c31-26-16-24(28-27-30(26)25(20-32-27)23-14-8-3-9-15-23)19-29(17-21-10-4-1-5-11-21)18-22-12-6-2-7-13-22/h1-16,20H,17-19H2.

What are the key properties of 7-[(dibenzylamino)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

7-[(dibenzylamino)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 437.57 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(dibenzylamino)methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 50802741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).