5-(2,5-dimethylphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C27H30N4O2S — CID 42832945

About 5-(2,5-dimethylphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-(2,5-dimethylphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 42832945) has the molecular formula C27H30N4O2S and a molecular weight of 474.63 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-(2,5-dimethylphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 42832945
• Molecular Formula: C27H30N4O2S
• Molecular Weight: 474.63 g/mol
• Exact Mass: 474.21
• IUPAC Name: 5-(2,5-dimethylphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CCN(C)C(=O)CC1=CSC2=NC(C)=C(C(=O)Nc3ccccc3)C(c3cc(C)ccc3C)N12
• InChI: InChI=1S/C27H30N4O2S/c1-6-30(5)23(32)15-21-16-34-27-28-19(4)24(26(33)29-20-10-8-7-9-11-20)25(31(21)27)22-14-17(2)12-13-18(22)3/h7-14,16,25H,6,15H2,1-5H3,(H,29,33)
• InChIKey: DCWAKJBXWQMVMD-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 65.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.63
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of 5-(2,5-dimethylphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 42832945) is 5-(2,5-dimethylphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-(2,5-dimethylphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for 5-(2,5-dimethylphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(C)C(=O)CC1=CSC2=NC(C)=C(C(=O)Nc3ccccc3)C(c3cc(C)ccc3C)N12.

What is the InChIKey of 5-(2,5-dimethylphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is DCWAKJBXWQMVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2S/c1-6-30(5)23(32)15-21-16-34-27-28-19(4)24(26(33)29-20-10-8-7-9-11-20)25(31(21)27)22-14-17(2)12-13-18(22)3/h7-14,16,25H,6,15H2,1-5H3,(H,29,33).

What are the key properties of 5-(2,5-dimethylphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

5-(2,5-dimethylphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 474.63 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,5-dimethylphenyl)-3-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42832945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).