ethyl 5-[4-(diethylamino)-2-methoxyphenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C21H27N3O3S — CID 5215810

About ethyl 5-[4-(diethylamino)-2-methoxyphenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl 5-[4-(diethylamino)-2-methoxyphenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 5215810) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is ethyl 5-[4-(diethylamino)-2-methoxyphenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[4-(diethylamino)-2-methoxyphenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 5215810
• Molecular Formula: C21H27N3O3S
• Molecular Weight: 401.53 g/mol
• Exact Mass: 401.18
• IUPAC Name: ethyl 5-[4-(diethylamino)-2-methoxyphenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(C)N=C2SC=CN2C1c1ccc(N(CC)CC)cc1OC
• InChI: InChI=1S/C21H27N3O3S/c1-6-23(7-2)15-9-10-16(17(13-15)26-5)19-18(20(25)27-8-3)14(4)22-21-24(19)11-12-28-21/h9-13,19H,6-8H2,1-5H3
• InChIKey: UVLCJHWBVKSMLI-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 54.37 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.53
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-(diethylamino)-2-methoxyphenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of ethyl 5-[4-(diethylamino)-2-methoxyphenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 5215810) is ethyl 5-[4-(diethylamino)-2-methoxyphenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl 5-[4-(diethylamino)-2-methoxyphenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl 5-[4-(diethylamino)-2-methoxyphenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)N=C2SC=CN2C1c1ccc(N(CC)CC)cc1OC.

What is the InChIKey of ethyl 5-[4-(diethylamino)-2-methoxyphenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is UVLCJHWBVKSMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-6-23(7-2)15-9-10-16(17(13-15)26-5)19-18(20(25)27-8-3)14(4)22-21-24(19)11-12-28-21/h9-13,19H,6-8H2,1-5H3.

What are the key properties of ethyl 5-[4-(diethylamino)-2-methoxyphenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

ethyl 5-[4-(diethylamino)-2-methoxyphenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 401.53 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[4-(diethylamino)-2-methoxyphenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 5215810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).