(2Z,5S)-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C32H36N4O5S — CID 126164821

About (2Z,5S)-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2Z,5S)-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126164821) has the molecular formula C32H36N4O5S and a molecular weight of 588.73 g/mol. Its IUPAC name is (2Z,5S)-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (2Z,5S)-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 126164821
• Molecular Formula: C32H36N4O5S
• Molecular Weight: 588.73 g/mol
• Exact Mass: 588.24
• IUPAC Name: (2Z,5S)-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@H]1c1ccccc1OC
• InChI: InChI=1S/C32H36N4O5S/c1-5-34(6-2)31(39)28-21(3)33-32-36(29(28)24-11-7-8-12-25(24)40-4)30(38)26(42-32)19-22-13-15-23(16-14-22)41-20-27(37)35-17-9-10-18-35/h7-8,11-16,19,29H,5-6,9-10,17-18,20H2,1-4H3/b26-19-/t29-/m0/s1
• InChIKey: TYMABPNWMMPFPZ-AYTQJLEDSA-N
• XLogP: 3.11
• TPSA: 93.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.73
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2Z,5S)-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of (2Z,5S)-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126164821) is (2Z,5S)-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (2Z,5S)-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for (2Z,5S)-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)N4CCCC4)cc3)c(=O)n2[C@H]1c1ccccc1OC.

What is the InChIKey of (2Z,5S)-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is TYMABPNWMMPFPZ-AYTQJLEDSA-N. The full InChI is InChI=1S/C32H36N4O5S/c1-5-34(6-2)31(39)28-21(3)33-32-36(29(28)24-11-7-8-12-25(24)40-4)30(38)26(42-32)19-22-13-15-23(16-14-22)41-20-27(37)35-17-9-10-18-35/h7-8,11-16,19,29H,5-6,9-10,17-18,20H2,1-4H3/b26-19-/t29-/m0/s1.

What are the key properties of (2Z,5S)-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

(2Z,5S)-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 588.73 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5S)-N,N-diethyl-5-(2-methoxyphenyl)-7-methyl-3-oxo-2-[[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126164821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).