methyl (2E)-2-(furan-2-ylmethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

HCID 5337151

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Basic information

CAS: 5849-69-4
Standard SMILES: COC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2C1c1ccc(OC)cc1
InChIKey: QNILFBSCLAHVKW-LFIBNONCSA-N
Molecular formula: C21H18N2O5S
Average molar mass: 410.4 g/mol
Monoisotopic mass: 410.09364285

Names & identifiers

Preferred name: methyl (2E)-2-(furan-2-ylmethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
IUPAC: methyl (2E)-2-(furan-2-ylmethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Names & synonyms

5849-69-4methyl 2-(2-furylmethylene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateAC1NSO5Gmethyl (2E)-2-(furan-2-ylmethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateSCHEMBL13856110DTXSID60416668HMS1584E20STK832756AKOS000532480AKOS021988606AB00099227-01AG-690/37079172

Show more names

SR-01000422108SR-01000422108-1(E)-methyl 2-(furan-2-ylmethylene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylatemethyl (2E)-2-(furan-2-ylmethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateMethyl (2E)-2-[(furan-2-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Database identifiers

CAS: 5849-69-4
PubChem CID: 5337151
DTXSID: DTXSID60416668

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 107 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 0
Complexity: 782

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