prop-2-enyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C38H35N5O7S2 — CID 6292439

About prop-2-enyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

prop-2-enyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 6292439) has the molecular formula C38H35N5O7S2 and a molecular weight of 737.86 g/mol. Its IUPAC name is prop-2-enyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: prop-2-enyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• PubChem CID: 6292439
• Molecular Formula: C38H35N5O7S2
• Molecular Weight: 737.86 g/mol
• Exact Mass: 737.20
• IUPAC Name: prop-2-enyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
• SMILES: C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(=O)n2C1c1ccc(OC)cc1
• InChI: InChI=1S/C38H35N5O7S2/c1-4-20-50-37(45)33-25(2)39-38-43(35(33)27-10-14-30(48-3)15-11-27)36(44)32(51-38)23-28-24-42(29-8-6-5-7-9-29)40-34(28)26-12-16-31(17-13-26)52(46,47)41-18-21-49-22-19-41/h4-17,23-24,35H,1,18-22H2,2-3H3/b32-23-
• InChIKey: CRMUFDJFXCLXDV-SJIPCVTESA-N
• XLogP: 3.85
• TPSA: 134.32 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.86
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of prop-2-enyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 6292439) is prop-2-enyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for prop-2-enyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for prop-2-enyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(=O)n2C1c1ccc(OC)cc1.

What is the InChIKey of prop-2-enyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is CRMUFDJFXCLXDV-SJIPCVTESA-N. The full InChI is InChI=1S/C38H35N5O7S2/c1-4-20-50-37(45)33-25(2)39-38-43(35(33)27-10-14-30(48-3)15-11-27)36(44)32(51-38)23-28-24-42(29-8-6-5-7-9-29)40-34(28)26-12-16-31(17-13-26)52(46,47)41-18-21-49-22-19-41/h4-17,23-24,35H,1,18-22H2,2-3H3/b32-23-.

What are the key properties of prop-2-enyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

prop-2-enyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 737.86 g/mol, XLogP of 3.85, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-[[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 6292439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).