(2E,5R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C34H33Cl2N3O5S — CID 126101004

About (2E,5R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2E,5R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126101004) has the molecular formula C34H33Cl2N3O5S and a molecular weight of 666.63 g/mol. Its IUPAC name is (2E,5R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (2E,5R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 126101004
• Molecular Formula: C34H33Cl2N3O5S
• Molecular Weight: 666.63 g/mol
• Exact Mass: 665.15
• IUPAC Name: (2E,5R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3cccc(Cl)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC
• InChI: InChI=1S/C34H33Cl2N3O5S/c1-6-38(7-2)33(41)30-20(3)37-34-39(31(30)26-18-25(42-4)12-14-28(26)43-5)32(40)29(45-34)17-22-16-24(36)11-13-27(22)44-19-21-9-8-10-23(35)15-21/h8-18,31H,6-7,19H2,1-5H3/b29-17+/t31-/m1/s1
• InChIKey: FJOBPCJHPCQYKI-SELCLYCASA-N
• XLogP: 6.01
• TPSA: 82.36 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.63
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2E,5R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of (2E,5R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126101004) is (2E,5R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (2E,5R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for (2E,5R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCc3cccc(Cl)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC.

What is the InChIKey of (2E,5R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is FJOBPCJHPCQYKI-SELCLYCASA-N. The full InChI is InChI=1S/C34H33Cl2N3O5S/c1-6-38(7-2)33(41)30-20(3)37-34-39(31(30)26-18-25(42-4)12-14-28(26)43-5)32(40)29(45-34)17-22-16-24(36)11-13-27(22)44-19-21-9-8-10-23(35)15-21/h8-18,31H,6-7,19H2,1-5H3/b29-17+/t31-/m1/s1.

What are the key properties of (2E,5R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

(2E,5R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 666.63 g/mol, XLogP of 6.01, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-5-(2,5-dimethoxyphenyl)-N,N-diethyl-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126101004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).