Chemical identity

1-(2-Benzothiazolyl)piperazine

CAS 55745-83-0 · C11H13N3S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-19351
PubChem CID592122
Name1-(2-Benzothiazolyl)piperazine
CAS RN55745-83-0
Molecular formulaC11H13N3S
Molecular weight219.31 g/mol
IUPAC name2-(piperazin-1-yl)benzo[d]thiazole
InChIKeyLLQMZXMBCQNMJV-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 592122
Two-dimensional chemical structure of 1-(2-Benzothiazolyl)piperazine, CAS 55745-83-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count3
Secondary amines1
Tertiary amines1
N-methyl amine sites0
SMILESC1CN(CCN1)C2=NC3=CC=CC=C3S2
InChINot listed
Formula from structureC11H13N3S
Molecular weight from structure219.31 g/mol

03Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site1 candidate
Chemical structure of 1-(2-Benzothiazolyl)piperazine with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from 1-(2-Benzothiazolyl)piperazine, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C11H12N4OS
Candidate SMILES
O=NN1CCN(c2nc3ccccc3s2)CC1

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 55745-83-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 55745-83-0 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Lurasidone

View API and impurity family

Other names

  • Lurasidone Impurity 35
  • 1-(2-Benzothiazolyl)piperazine
  • 2-(Piperazin-1-yl)-1,3-benzothiazole
  • 2-(Piperazin-1-yl)benzo[d]thiazole
  • 2-(Piperazin-1-yl)benzothiazole
  • 2-(1-Piperazinyl)benzothiazole
  • 55745-83-0
  • DTXSID50343772
  • RefChem:1064190
  • DTXCID80294849
  • MFCD01417996
  • 2-piperazino-1,3-benzothiazole

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources