1,1-Dimethylethyl 4-(5-bromo-1,3,4-thiadiazol-2-yl)hexahydro-1H-1,4-diazepine-1-carboxylate

CAS Registry Number®

1357147-44-4
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CAS Name

1,1-Dimethylethyl 4-(5-bromo-1,3,4-thiadiazol-2-yl)hexahydro-1H-1,4-diazepine-1-carboxylate

Molecular Formula

C12H19BrN4O2S

Molecular Mass

363.27

Cite this Page

1,1-Dimethylethyl 4-(5-bromo-1,3,4-thiadiazol-2-yl)hexahydro-1H-1,4-diazepine-1-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1357147-44-4 (retrieved 2024-09-19) (CAS RN: 1357147-44-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H19BrN4O2S/c1-12(2,3)19-11(18)17-6-4-5-16(7-8-17)10-15-14-9(13)20-10/h4-8H2,1-3H3

InChIKey

InChIKey=LQQIYEAWAGAREX-UHFFFAOYSA-N

SMILES

BrC=1SC(=NN1)N2CCN(C(OC(C)(C)C)=O)CCC2

Canonical SMILES

O=C(OC(C)(C)C)N1CCN(C2=NN=C(Br)S2)CCC1

Other Names for this Substance

  • 1H-1,4-Diazepine-1-carboxylic acid, 4-(5-bromo-1,3,4-thiadiazol-2-yl)hexahydro-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-(5-bromo-1,3,4-thiadiazol-2-yl)hexahydro-1H-1,4-diazepine-1-carboxylate