prop-2-enyl (2E,5S)-2-[(2,3-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

About prop-2-enyl (2E,5S)-2-[(2,3-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

prop-2-enyl (2E,5S)-2-[(2,3-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 27273581) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is prop-2-enyl (2E,5S)-2-[(2,3-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name	prop-2-enyl (2E,5S)-2-[(2,3-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID	27273581
Molecular Formula	C26H24N2O5S
Molecular Weight	476.55 g/mol
Exact Mass	476.14
IUPAC Name	prop-2-enyl (2E,5S)-2-[(2,3-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILES	C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccccc1
InChI	InChI=1S/C26H24N2O5S/c1-5-14-33-25(30)21-16(2)27-26-28(22(21)17-10-7-6-8-11-17)24(29)20(34-26)15-18-12-9-13-19(31-3)23(18)32-4/h5-13,15,22H,1,14H2,2-4H3/b20-15+/t22-/m0/s1
InChIKey	BWJAMXIUFOKUKG-QDUHJBTASA-N
XLogP	2.98
TPSA	79.12 Å²
H-Bond Donors
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.55
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2E,5S)-2-[(2,3-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The IUPAC name of prop-2-enyl (2E,5S)-2-[(2,3-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 27273581) is prop-2-enyl (2E,5S)-2-[(2,3-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

What is the SMILES notation for prop-2-enyl (2E,5S)-2-[(2,3-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The canonical SMILES for prop-2-enyl (2E,5S)-2-[(2,3-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccccc1.

What is the InChIKey of prop-2-enyl (2E,5S)-2-[(2,3-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

The InChIKey is BWJAMXIUFOKUKG-QDUHJBTASA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-5-14-33-25(30)21-16(2)27-26-28(22(21)17-10-7-6-8-11-17)24(29)20(34-26)15-18-12-9-13-19(31-3)23(18)32-4/h5-13,15,22H,1,14H2,2-4H3/b20-15+/t22-/m0/s1.

What are the key properties of prop-2-enyl (2E,5S)-2-[(2,3-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?

prop-2-enyl (2E,5S)-2-[(2,3-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 476.55 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl (2E,5S)-2-[(2,3-dimethoxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 27273581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).