ethyl (5S)-5-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C23H27N3O6S — CID 124550605

About ethyl (5S)-5-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (5S)-5-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 124550605) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is ethyl (5S)-5-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl (5S)-5-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 124550605
• Molecular Formula: C23H27N3O6S
• Molecular Weight: 473.55 g/mol
• Exact Mass: 473.16
• IUPAC Name: ethyl (5S)-5-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCC(=O)N2CCOCC2)c(OC)c1
• InChI: InChI=1S/C23H27N3O6S/c1-4-31-22(28)20-15(2)24-23-26(9-12-33-23)21(20)16-5-6-17(18(13-16)29-3)32-14-19(27)25-7-10-30-11-8-25/h5-6,9,12-13,21H,4,7-8,10-11,14H2,1-3H3/t21-/m0/s1
• InChIKey: GIVHYEFTXVPALZ-NRFANRHFSA-N
• XLogP: 2.70
• TPSA: 89.90 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.55
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl (5S)-5-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of ethyl (5S)-5-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 124550605) is ethyl (5S)-5-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl (5S)-5-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl (5S)-5-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCC(=O)N2CCOCC2)c(OC)c1.

What is the InChIKey of ethyl (5S)-5-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is GIVHYEFTXVPALZ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-4-31-22(28)20-15(2)24-23-26(9-12-33-23)21(20)16-5-6-17(18(13-16)29-3)32-14-19(27)25-7-10-30-11-8-25/h5-6,9,12-13,21H,4,7-8,10-11,14H2,1-3H3/t21-/m0/s1.

What are the key properties of ethyl (5S)-5-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

ethyl (5S)-5-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 473.55 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (5S)-5-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 124550605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).