(2,4-dimethoxyphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium

C17H20N3O3S+ — CID 2657671

About (2,4-dimethoxyphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium

(2,4-dimethoxyphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (PubChem CID 2657671) has the molecular formula C17H20N3O3S+ and a molecular weight of 346.43 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.

Molecular Properties

• Compound Name: (2,4-dimethoxyphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
• PubChem CID: 2657671
• Molecular Formula: C17H20N3O3S+
• Molecular Weight: 346.43 g/mol
• Exact Mass: 346.12
• IUPAC Name: (2,4-dimethoxyphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
• SMILES: COc1ccc(C[NH+](C)Cc2cc(=O)n3ccsc3n2)c(OC)c1
• InChI: InChI=1S/C17H19N3O3S/c1-19(10-12-4-5-14(22-2)9-15(12)23-3)11-13-8-16(21)20-6-7-24-17(20)18-13/h4-9H,10-11H2,1-3H3/p+1
• InChIKey: WZGRGTFUFASCJK-UHFFFAOYSA-O
• XLogP: 0.99
• TPSA: 57.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.43
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?

The IUPAC name of (2,4-dimethoxyphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (CID 2657671) is (2,4-dimethoxyphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.

What is the SMILES notation for (2,4-dimethoxyphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?

The canonical SMILES for (2,4-dimethoxyphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is COc1ccc(C[NH+](C)Cc2cc(=O)n3ccsc3n2)c(OC)c1.

What is the InChIKey of (2,4-dimethoxyphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?

The InChIKey is WZGRGTFUFASCJK-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19N3O3S/c1-19(10-12-4-5-14(22-2)9-15(12)23-3)11-13-8-16(21)20-6-7-24-17(20)18-13/h4-9H,10-11H2,1-3H3/p+1.

What are the key properties of (2,4-dimethoxyphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?

(2,4-dimethoxyphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium has a molecular weight of 346.43 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2,4-dimethoxyphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is sourced from PubChem (CID 2657671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).