(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

C19H16N2O5S — CID 7270300

About (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 7270300) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

• Compound Name: (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
• PubChem CID: 7270300
• Molecular Formula: C19H16N2O5S
• Molecular Weight: 384.41 g/mol
• Exact Mass: 384.08
• IUPAC Name: (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
• SMILES: COc1ccc2oc(C(=O)OCc3cc(=O)n4c(C)csc4n3)c(C)c2c1
• InChI: InChI=1S/C19H16N2O5S/c1-10-9-27-19-20-12(6-16(22)21(10)19)8-25-18(23)17-11(2)14-7-13(24-3)4-5-15(14)26-17/h4-7,9H,8H2,1-3H3
• InChIKey: SVXCLJFLAGFGOE-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 83.04 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.41
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (CID 7270300) is (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.

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

The canonical SMILES for (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is COc1ccc2oc(C(=O)OCc3cc(=O)n4c(C)csc4n3)c(C)c2c1.

What is the InChIKey of (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?

The InChIKey is SVXCLJFLAGFGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c1-10-9-27-19-20-12(6-16(22)21(10)19)8-25-18(23)17-11(2)14-7-13(24-3)4-5-15(14)26-17/h4-7,9H,8H2,1-3H3.

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

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 384.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 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 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7270300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).