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

C17H20N3OS+ — CID 8907616

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

(4-ethylphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (PubChem CID 8907616) has the molecular formula C17H20N3OS+ and a molecular weight of 314.43 g/mol. Its IUPAC name is (4-ethylphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.

Molecular Properties

• Compound Name: (4-ethylphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
• PubChem CID: 8907616
• Molecular Formula: C17H20N3OS+
• Molecular Weight: 314.43 g/mol
• Exact Mass: 314.13
• IUPAC Name: (4-ethylphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
• SMILES: CCc1ccc(C[NH+](C)Cc2cc(=O)n3ccsc3n2)cc1
• InChI: InChI=1S/C17H19N3OS/c1-3-13-4-6-14(7-5-13)11-19(2)12-15-10-16(21)20-8-9-22-17(20)18-15/h4-10H,3,11-12H2,1-2H3/p+1
• InChIKey: HNMJGXDFCGBJIH-UHFFFAOYSA-O
• XLogP: 1.53
• TPSA: 38.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.43
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (4-ethylphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (CID 8907616) is (4-ethylphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.

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

The canonical SMILES for (4-ethylphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is CCc1ccc(C[NH+](C)Cc2cc(=O)n3ccsc3n2)cc1.

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

The InChIKey is HNMJGXDFCGBJIH-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19N3OS/c1-3-13-4-6-14(7-5-13)11-19(2)12-15-10-16(21)20-8-9-22-17(20)18-15/h4-10H,3,11-12H2,1-2H3/p+1.

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

(4-ethylphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium has a molecular weight of 314.43 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-ethylphenyl)methyl-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is sourced from PubChem (CID 8907616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).