(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-fluorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylate

C23H15FN4O5S — CID 166187651

About (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-fluorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylate

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-fluorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylate (PubChem CID 166187651) has the molecular formula C23H15FN4O5S and a molecular weight of 478.46 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-fluorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylate.

Molecular Properties

• Compound Name: (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-fluorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylate
• PubChem CID: 166187651
• Molecular Formula: C23H15FN4O5S
• Molecular Weight: 478.46 g/mol
• Exact Mass: 478.07
• IUPAC Name: (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-fluorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylate
• SMILES: Cc1csc2nc(COC(=O)c3ccc4c(=O)n(-c5ccccc5F)c(=O)[nH]c4c3)cc(=O)n12
• InChI: InChI=1S/C23H15FN4O5S/c1-12-11-34-23-25-14(9-19(29)27(12)23)10-33-21(31)13-6-7-15-17(8-13)26-22(32)28(20(15)30)18-5-3-2-4-16(18)24/h2-9,11H,10H2,1H3,(H,26,32)
• InChIKey: LAYGNGQJUMZYJV-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 115.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.46
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-fluorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylate?

The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-fluorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylate (CID 166187651) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-fluorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylate.

What is the SMILES notation for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-fluorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylate?

The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-fluorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylate is Cc1csc2nc(COC(=O)c3ccc4c(=O)n(-c5ccccc5F)c(=O)[nH]c4c3)cc(=O)n12.

What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-fluorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylate?

The InChIKey is LAYGNGQJUMZYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O5S/c1-12-11-34-23-25-14(9-19(29)27(12)23)10-33-21(31)13-6-7-15-17(8-13)26-22(32)28(20(15)30)18-5-3-2-4-16(18)24/h2-9,11H,10H2,1H3,(H,26,32).

What are the key properties of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-fluorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylate?

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-fluorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylate has a molecular weight of 478.46 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-fluorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylate is sourced from PubChem (CID 166187651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).