5-(3-chlorophenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C28H30ClN5O3S — CID 42832920

About 5-(3-chlorophenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-(3-chlorophenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 42832920) has the molecular formula C28H30ClN5O3S and a molecular weight of 552.10 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-(3-chlorophenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 42832920
• Molecular Formula: C28H30ClN5O3S
• Molecular Weight: 552.10 g/mol
• Exact Mass: 551.18
• IUPAC Name: 5-(3-chlorophenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccccc2)C(c2cccc(Cl)c2)N2C(CC(=O)NCCN3CCOCC3)=CSC2=N1
• InChI: InChI=1S/C28H30ClN5O3S/c1-19-25(27(36)32-22-8-3-2-4-9-22)26(20-6-5-7-21(29)16-20)34-23(18-38-28(34)31-19)17-24(35)30-10-11-33-12-14-37-15-13-33/h2-9,16,18,26H,10-15,17H2,1H3,(H,30,35)(H,32,36)
• InChIKey: YSRYLLSKBFYPBF-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 86.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.10
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of 5-(3-chlorophenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 42832920) is 5-(3-chlorophenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-(3-chlorophenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for 5-(3-chlorophenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2cccc(Cl)c2)N2C(CC(=O)NCCN3CCOCC3)=CSC2=N1.

What is the InChIKey of 5-(3-chlorophenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is YSRYLLSKBFYPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN5O3S/c1-19-25(27(36)32-22-8-3-2-4-9-22)26(20-6-5-7-21(29)16-20)34-23(18-38-28(34)31-19)17-24(35)30-10-11-33-12-14-37-15-13-33/h2-9,16,18,26H,10-15,17H2,1H3,(H,30,35)(H,32,36).

What are the key properties of 5-(3-chlorophenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

5-(3-chlorophenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 552.10 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-chlorophenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42832920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).