5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C28H28N4O5S — CID 4623641

About 5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4623641) has the molecular formula C28H28N4O5S and a molecular weight of 532.62 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 4623641
• Molecular Formula: C28H28N4O5S
• Molecular Weight: 532.62 g/mol
• Exact Mass: 532.18
• IUPAC Name: 5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CCN(CC)C(=O)C1=C(C)N=c2sc(=C3C(=O)Nc4ccccc43)c(=O)n2C1c1cc(OC)ccc1OC
• InChI: InChI=1S/C28H28N4O5S/c1-6-31(7-2)26(34)21-15(3)29-28-32(23(21)18-14-16(36-4)12-13-20(18)37-5)27(35)24(38-28)22-17-10-8-9-11-19(17)30-25(22)33/h8-14,23H,6-7H2,1-5H3,(H,30,33)
• InChIKey: AVEPJDIHEZHYJH-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 102.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.62
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of 5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4623641) is 5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for 5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(CC)C(=O)C1=C(C)N=c2sc(=C3C(=O)Nc4ccccc43)c(=O)n2C1c1cc(OC)ccc1OC.

What is the InChIKey of 5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is AVEPJDIHEZHYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O5S/c1-6-31(7-2)26(34)21-15(3)29-28-32(23(21)18-14-16(36-4)12-13-20(18)37-5)27(35)24(38-28)22-17-10-8-9-11-19(17)30-25(22)33/h8-14,23H,6-7H2,1-5H3,(H,30,33).

What are the key properties of 5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 532.62 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4623641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).