methyl (5R)-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C24H25N3O5S — CID 98399769

About methyl (5R)-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

methyl (5R)-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 98399769) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is methyl (5R)-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: methyl (5R)-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 98399769
• Molecular Formula: C24H25N3O5S
• Molecular Weight: 467.55 g/mol
• Exact Mass: 467.15
• IUPAC Name: methyl (5R)-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: COC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccco3)N2[C@@H]1c1cccc(OC)c1
• InChI: InChI=1S/C24H25N3O5S/c1-15-21(23(29)31-4)22(16-7-5-8-18(11-16)30-3)27-17(14-33-24(27)25-15)12-20(28)26(2)13-19-9-6-10-32-19/h5-11,14,22H,12-13H2,1-4H3/t22-/m1/s1
• InChIKey: JZHHFOTUVXPRMF-JOCHJYFZSA-N
• XLogP: 4.08
• TPSA: 84.58 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of methyl (5R)-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 98399769) is methyl (5R)-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for methyl (5R)-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for methyl (5R)-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COC(=O)C1=C(C)N=C2SC=C(CC(=O)N(C)Cc3ccco3)N2[C@@H]1c1cccc(OC)c1.

What is the InChIKey of methyl (5R)-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is JZHHFOTUVXPRMF-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-15-21(23(29)31-4)22(16-7-5-8-18(11-16)30-3)27-17(14-33-24(27)25-15)12-20(28)26(2)13-19-9-6-10-32-19/h5-11,14,22H,12-13H2,1-4H3/t22-/m1/s1.

What are the key properties of methyl (5R)-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

methyl (5R)-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 467.55 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (5R)-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 98399769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).