methyl (2Z,5S)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C30H23N3O7S — CID 2064505

About methyl (2Z,5S)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

methyl (2Z,5S)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 2064505) has the molecular formula C30H23N3O7S and a molecular weight of 569.60 g/mol. Its IUPAC name is methyl (2Z,5S)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: methyl (2Z,5S)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 2064505
• Molecular Formula: C30H23N3O7S
• Molecular Weight: 569.60 g/mol
• Exact Mass: 569.13
• IUPAC Name: methyl (2Z,5S)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: CCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OC)=C(C)N=3)c2ccccc21
• InChI: InChI=1S/C30H23N3O7S/c1-4-32-20-9-6-5-8-19(20)23(26(32)34)25-27(35)33-24(22(29(37)38-3)16(2)31-30(33)41-25)17-11-13-18(14-12-17)40-28(36)21-10-7-15-39-21/h5-15,24H,4H2,1-3H3/b25-23-/t24-/m0/s1
• InChIKey: RALMJZOFLWPVDS-MYXKAAJQSA-N
• XLogP: 2.96
• TPSA: 120.41 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.60
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (2Z,5S)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of methyl (2Z,5S)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 2064505) is methyl (2Z,5S)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for methyl (2Z,5S)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for methyl (2Z,5S)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OC)=C(C)N=3)c2ccccc21.

What is the InChIKey of methyl (2Z,5S)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is RALMJZOFLWPVDS-MYXKAAJQSA-N. The full InChI is InChI=1S/C30H23N3O7S/c1-4-32-20-9-6-5-8-19(20)23(26(32)34)25-27(35)33-24(22(29(37)38-3)16(2)31-30(33)41-25)17-11-13-18(14-12-17)40-28(36)21-10-7-15-39-21/h5-15,24H,4H2,1-3H3/b25-23-/t24-/m0/s1.

What are the key properties of methyl (2Z,5S)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

methyl (2Z,5S)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 569.60 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2Z,5S)-2-(1-ethyl-2-oxoindol-3-ylidene)-5-[4-(furan-2-carbonyloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 2064505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).