(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(4-methylbenzoyl)amino]benzoate

C23H19N3O4S — CID 46343543

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

(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(4-methylbenzoyl)amino]benzoate (PubChem CID 46343543) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(4-methylbenzoyl)amino]benzoate.

Molecular Properties

• Compound Name: (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(4-methylbenzoyl)amino]benzoate
• PubChem CID: 46343543
• Molecular Formula: C23H19N3O4S
• Molecular Weight: 433.49 g/mol
• Exact Mass: 433.11
• IUPAC Name: (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(4-methylbenzoyl)amino]benzoate
• SMILES: Cc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4cc(C)sc4n3)c2)cc1
• InChI: InChI=1S/C23H19N3O4S/c1-14-6-8-16(9-7-14)21(28)24-18-5-3-4-17(10-18)22(29)30-13-19-11-20(27)26-12-15(2)31-23(26)25-19/h3-12H,13H2,1-2H3,(H,24,28)
• InChIKey: AYPCCLMJXJJAQJ-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 89.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.49
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(4-methylbenzoyl)amino]benzoate (CID 46343543) is (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(4-methylbenzoyl)amino]benzoate.

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

The canonical SMILES for (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(4-methylbenzoyl)amino]benzoate is Cc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4cc(C)sc4n3)c2)cc1.

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

The InChIKey is AYPCCLMJXJJAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-14-6-8-16(9-7-14)21(28)24-18-5-3-4-17(10-18)22(29)30-13-19-11-20(27)26-12-15(2)31-23(26)25-19/h3-12H,13H2,1-2H3,(H,24,28).

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

(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(4-methylbenzoyl)amino]benzoate has a molecular weight of 433.49 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(4-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 46343543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).