(2Z,5R)-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C33H26N4O7S — CID 124557191

About (2Z,5R)-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2Z,5R)-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 124557191) has the molecular formula C33H26N4O7S and a molecular weight of 622.66 g/mol. Its IUPAC name is (2Z,5R)-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (2Z,5R)-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 124557191
• Molecular Formula: C33H26N4O7S
• Molecular Weight: 622.66 g/mol
• Exact Mass: 622.15
• IUPAC Name: (2Z,5R)-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)c(=O)n32)c1
• InChI: InChI=1S/C33H26N4O7S/c1-19-29(31(38)35-21-9-5-4-6-10-21)30(20-8-7-11-22(16-20)42-2)36-32(39)28(45-33(36)34-19)18-24-13-15-27(44-24)25-14-12-23(43-3)17-26(25)37(40)41/h4-18,30H,1-3H3,(H,35,38)/b28-18-/t30-/m1/s1
• InChIKey: IKCUTEGYAPUZBT-UNDLXJOSSA-N
• XLogP: 5.06
• TPSA: 138.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.66
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z,5R)-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of (2Z,5R)-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 124557191) is (2Z,5R)-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (2Z,5R)-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for (2Z,5R)-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)c(=O)n32)c1.

What is the InChIKey of (2Z,5R)-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is IKCUTEGYAPUZBT-UNDLXJOSSA-N. The full InChI is InChI=1S/C33H26N4O7S/c1-19-29(31(38)35-21-9-5-4-6-10-21)30(20-8-7-11-22(16-20)42-2)36-32(39)28(45-33(36)34-19)18-24-13-15-27(44-24)25-14-12-23(43-3)17-26(25)37(40)41/h4-18,30H,1-3H3,(H,35,38)/b28-18-/t30-/m1/s1.

What are the key properties of (2Z,5R)-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

(2Z,5R)-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 622.66 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5R)-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 124557191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).