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CS-W001157 4
Total: USD 88.00

(Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate

  • CAS No. 89604-92-2

  • Cat. No. CS-W019525
  • Purity≥95%
  • MDL No.MFCD00071548

*For research and further manufacturing use only, not for direct human use.

(Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate|CS-W019525

Structure of 89604-92-2

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General Information

  • CAS No. 89604-92-2
  • Cat. No. CS-W019525
  • Purity ≥95%
  • MDL No. MFCD00071548
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₂₂N₄O₄S₃
  • Molecular Weight 478.61
  • Synonym(s) 2-Mercaptobenzothiazolyl-(Z)-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl) isopropoxyiminoacetate
  • SMILES CC(C)(O/N=C(C1=CSC(N)=N1)\C(SC2=NC3=CC=CC=C3S2)=O)C(OC(C)(C)C)=O

Description

(Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate is a bench-stable, moisture-tolerant building block featuring a conjugated (Z)-configured enol ether linkage. This structure integrates a 2-aminothiazole pharmacophore with a benzo[d]thiazol-2-ylthio moiety, enabling direct incorporation into bioactive scaffolds through selective deprotection and coupling strategies under standard conditions.

Application

(Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate serves as a versatile building block for thiazole-based heterocyclic scaffolds, enabling efficient construction of complex medicinal chemistry intermediates. The molecule features a stabilized (Z)-enol ether functionality adjacent to a reactive amide and thioether linkage, offering orthogonal reactivity for downstream transformations. Its bench-stable tert-butyl ester facilitates straightforward deprotection and purification, while the dual thiazole motifs provide robust structural rigidity and favorable pharmacophoric properties for target-directed synthesis.

Safety Information

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GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1325
Class : 4.1
Packing Group : Ⅲ
Hazard Statements : H228-H302+H312+H332-H315-H319
Precautionary Statements : P210-P240-P241-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P501

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Computational Chemistry Data

  • TPSA   116.76
  • LogP   4.4949
  • H_Acceptors   11
  • H_Donors   1
  • Rotatable_Bonds   6

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