ethyl 2-[(4-methylphenyl)methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate

C19H21N3O3S — CID 48559179

About ethyl 2-[(4-methylphenyl)methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate

ethyl 2-[(4-methylphenyl)methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate (PubChem CID 48559179) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is ethyl 2-[(4-methylphenyl)methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate.

Molecular Properties

• Compound Name: ethyl 2-[(4-methylphenyl)methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate
• PubChem CID: 48559179
• Molecular Formula: C19H21N3O3S
• Molecular Weight: 371.46 g/mol
• Exact Mass: 371.13
• IUPAC Name: ethyl 2-[(4-methylphenyl)methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate
• SMILES: CCOC(=O)CN(Cc1ccc(C)cc1)Cc1cc(=O)n2ccsc2n1
• InChI: InChI=1S/C19H21N3O3S/c1-3-25-18(24)13-21(11-15-6-4-14(2)5-7-15)12-16-10-17(23)22-8-9-26-19(22)20-16/h4-10H,3,11-13H2,1-2H3
• InChIKey: WSOGERWXGRWCDB-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 63.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.46
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl 2-[(4-methylphenyl)methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate (CID 48559179) is ethyl 2-[(4-methylphenyl)methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate.

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

The canonical SMILES for ethyl 2-[(4-methylphenyl)methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate is CCOC(=O)CN(Cc1ccc(C)cc1)Cc1cc(=O)n2ccsc2n1.

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

The InChIKey is WSOGERWXGRWCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-25-18(24)13-21(11-15-6-4-14(2)5-7-15)12-16-10-17(23)22-8-9-26-19(22)20-16/h4-10H,3,11-13H2,1-2H3.

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

ethyl 2-[(4-methylphenyl)methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate has a molecular weight of 371.46 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[(4-methylphenyl)methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate is sourced from PubChem (CID 48559179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).