propan-2-yl 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C24H32N4O4S — CID 42832893

About propan-2-yl 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

propan-2-yl 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 42832893) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is propan-2-yl 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 42832893
• Molecular Formula: C24H32N4O4S
• Molecular Weight: 472.61 g/mol
• Exact Mass: 472.21
• IUPAC Name: propan-2-yl 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: COc1cccc(C2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCN(C)C)N32)c1
• InChI: InChI=1S/C24H32N4O4S/c1-15(2)32-23(30)21-16(3)26-24-28(22(21)17-8-7-9-19(12-17)31-6)18(14-33-24)13-20(29)25-10-11-27(4)5/h7-9,12,14-15,22H,10-11,13H2,1-6H3,(H,25,29)
• InChIKey: ZDLYIKCQEWJTST-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 83.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.61
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of propan-2-yl 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 42832893) is propan-2-yl 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for propan-2-yl 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for propan-2-yl 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COc1cccc(C2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCCN(C)C)N32)c1.

What is the InChIKey of propan-2-yl 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is ZDLYIKCQEWJTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-15(2)32-23(30)21-16(3)26-24-28(22(21)17-8-7-9-19(12-17)31-6)18(14-33-24)13-20(29)25-10-11-27(4)5/h7-9,12,14-15,22H,10-11,13H2,1-6H3,(H,25,29).

What are the key properties of propan-2-yl 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

propan-2-yl 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 472.61 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 42832893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).