ethyl (5R)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C29H32N4O4S — CID 98361242

About ethyl (5R)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (5R)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 98361242) has the molecular formula C29H32N4O4S and a molecular weight of 532.67 g/mol. Its IUPAC name is ethyl (5R)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl (5R)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 98361242
• Molecular Formula: C29H32N4O4S
• Molecular Weight: 532.67 g/mol
• Exact Mass: 532.21
• IUPAC Name: ethyl (5R)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@@H]1c1ccccc1
• InChI: InChI=1S/C29H32N4O4S/c1-2-37-28(35)25-26(21-9-5-3-6-10-21)31-29-33(27(25)22-11-7-4-8-12-22)23(20-38-29)19-24(34)30-13-14-32-15-17-36-18-16-32/h3-12,20,27H,2,13-19H2,1H3,(H,30,34)/t27-/m1/s1
• InChIKey: GAWPEGYSEOOANT-HHHXNRCGSA-N
• XLogP: 3.80
• TPSA: 83.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.67
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of ethyl (5R)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 98361242) is ethyl (5R)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl (5R)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl (5R)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@@H]1c1ccccc1.

What is the InChIKey of ethyl (5R)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is GAWPEGYSEOOANT-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H32N4O4S/c1-2-37-28(35)25-26(21-9-5-3-6-10-21)31-29-33(27(25)22-11-7-4-8-12-22)23(20-38-29)19-24(34)30-13-14-32-15-17-36-18-16-32/h3-12,20,27H,2,13-19H2,1H3,(H,30,34)/t27-/m1/s1.

What are the key properties of ethyl (5R)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

ethyl (5R)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 532.67 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (5R)-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5,7-diphenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 98361242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).