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

C32H23Cl2N3O4S — CID 124557159

About (2Z,5R)-2-[[5-(2,5-dichlorophenyl)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-(2,5-dichlorophenyl)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 124557159) has the molecular formula C32H23Cl2N3O4S and a molecular weight of 616.53 g/mol. Its IUPAC name is (2Z,5R)-2-[[5-(2,5-dichlorophenyl)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-(2,5-dichlorophenyl)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: 124557159
• Molecular Formula: C32H23Cl2N3O4S
• Molecular Weight: 616.53 g/mol
• Exact Mass: 615.08
• IUPAC Name: (2Z,5R)-2-[[5-(2,5-dichlorophenyl)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(-c5cc(Cl)ccc5Cl)o4)c(=O)n32)c1
• InChI: InChI=1S/C32H23Cl2N3O4S/c1-18-28(30(38)36-21-8-4-3-5-9-21)29(19-7-6-10-22(15-19)40-2)37-31(39)27(42-32(37)35-18)17-23-12-14-26(41-23)24-16-20(33)11-13-25(24)34/h3-17,29H,1-2H3,(H,36,38)/b27-17-/t29-/m1/s1
• InChIKey: UPZCZENHBDXQEN-USDTVRPUSA-N
• XLogP: 6.45
• TPSA: 85.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.53
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2Z,5R)-2-[[5-(2,5-dichlorophenyl)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-(2,5-dichlorophenyl)furan-2-yl]methylidene]-5-(3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 124557159) is (2Z,5R)-2-[[5-(2,5-dichlorophenyl)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-(2,5-dichlorophenyl)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-(2,5-dichlorophenyl)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(-c5cc(Cl)ccc5Cl)o4)c(=O)n32)c1.

What is the InChIKey of (2Z,5R)-2-[[5-(2,5-dichlorophenyl)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 UPZCZENHBDXQEN-USDTVRPUSA-N. The full InChI is InChI=1S/C32H23Cl2N3O4S/c1-18-28(30(38)36-21-8-4-3-5-9-21)29(19-7-6-10-22(15-19)40-2)37-31(39)27(42-32(37)35-18)17-23-12-14-26(41-23)24-16-20(33)11-13-25(24)34/h3-17,29H,1-2H3,(H,36,38)/b27-17-/t29-/m1/s1.

What are the key properties of (2Z,5R)-2-[[5-(2,5-dichlorophenyl)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-(2,5-dichlorophenyl)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 616.53 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5R)-2-[[5-(2,5-dichlorophenyl)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 124557159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).