ethyl (2Z,5R)-5-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C32H26ClN3O5S — CID 126154035

About ethyl (2Z,5R)-5-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

ethyl (2Z,5R)-5-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 126154035) has the molecular formula C32H26ClN3O5S and a molecular weight of 600.10 g/mol. Its IUPAC name is ethyl (2Z,5R)-5-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl (2Z,5R)-5-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 126154035
• Molecular Formula: C32H26ClN3O5S
• Molecular Weight: 600.10 g/mol
• Exact Mass: 599.13
• IUPAC Name: ethyl (2Z,5R)-5-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)N(CC)c4ccccc43)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC
• InChI: InChI=1S/C32H26ClN3O5S/c1-4-35-22-14-10-9-13-20(22)24(29(35)37)28-30(38)36-27(21-17-19(33)15-16-23(21)40-3)25(31(39)41-5-2)26(34-32(36)42-28)18-11-7-6-8-12-18/h6-17,27H,4-5H2,1-3H3/b28-24-/t27-/m1/s1
• InChIKey: YWFFUSRNAGIKAB-QCGGOHOJSA-N
• XLogP: 4.33
• TPSA: 90.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.10
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,5R)-5-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of ethyl (2Z,5R)-5-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 126154035) is ethyl (2Z,5R)-5-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl (2Z,5R)-5-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl (2Z,5R)-5-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C3\C(=O)N(CC)c4ccccc43)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC.

What is the InChIKey of ethyl (2Z,5R)-5-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is YWFFUSRNAGIKAB-QCGGOHOJSA-N. The full InChI is InChI=1S/C32H26ClN3O5S/c1-4-35-22-14-10-9-13-20(22)24(29(35)37)28-30(38)36-27(21-17-19(33)15-16-23(21)40-3)25(31(39)41-5-2)26(34-32(36)42-28)18-11-7-6-8-12-18/h6-17,27H,4-5H2,1-3H3/b28-24-/t27-/m1/s1.

What are the key properties of ethyl (2Z,5R)-5-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

ethyl (2Z,5R)-5-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 600.10 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z,5R)-5-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)-3-oxo-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 126154035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).